|
|
|
|
|
|
|
Compound Number
|
|
MolPort-001-768-757
|
|
CAS Number
|
|
59335-84-1
|
|
IUPAC
|
|
(2S)-2-methylpyrrolidine
|
|
Chemical Data
|
|
SMILES:
|
C[C@H]1CCCN1 |r|
|
|
InChI Key:
|
RGHPCLZJAFCTIK-YFKPBYRVBT
|
|
Molecular Formula:
|
C5H11N
|
|
Molecular Weight:
|
85.1475
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-053
|
|
Chemical Data
|
|
SMILES:
|
CN1CCC[C@@H]1CO |r|
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C6H13NO
|
|
Molecular Weight:
|
115.1735
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-054
|
|
Chemical Data
|
|
SMILES:
|
NCC1(O)CCSCC1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C6H13NOS
|
|
Molecular Weight:
|
147.239
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-003-986-805
|
|
CAS Number
|
|
38035-10-8
|
|
IUPAC
|
|
N,N-dimethyloxan-4-amine
|
|
Chemical Data
|
|
SMILES:
|
CN(C)C1CCOCC1
|
|
InChI Key:
|
IKFKTKLTADWXNX-UHFFFAOYAL
|
|
Molecular Formula:
|
C7H15NO
|
|
Molecular Weight:
|
129.2001
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-145-601
|
|
CAS Number
|
|
1072-72-6
|
|
IUPAC
|
|
thian-4-one
|
|
Chemical Data
|
|
SMILES:
|
O=C1CCSCC1
|
|
InChI Key:
|
OVRJVKCZJCNSOW-UHFFFAOYAI
|
|
Molecular Formula:
|
C5H8OS
|
|
Molecular Weight:
|
116.181
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-001-768-051
|
|
CAS Number
|
|
17530-69-7
|
|
IUPAC
|
|
3-chloro-5,5-dimethylcyclohex-2-en-1-one
|
|
Chemical Data
|
|
SMILES:
|
CC1(C)CC(=O)C=C(Cl)C1 |t:6|
|
|
InChI Key:
|
PJYTYJGMJDIKEJ-UHFFFAOYAG
|
|
Molecular Formula:
|
C8H11ClO
|
|
Molecular Weight:
|
158.625
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-055
|
|
Chemical Data
|
|
SMILES:
|
CC1(C)CCCC(=O)C1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C8H14O
|
|
Molecular Weight:
|
126.1962
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-002-742-076
|
|
IUPAC
|
|
2-methylpiperidin-4-one
|
|
Chemical Data
|
|
SMILES:
|
CC1CC(=O)CCN1
|
|
InChI Key:
|
OFVHMZSKMQPCKB-UHFFFAOYAR
|
|
Molecular Formula:
|
C6H11NO
|
|
Molecular Weight:
|
113.1576
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-003-964
|
|
CAS Number
|
|
40987-24-4
|
|
IUPAC
|
|
(4-benzylmorpholin-2-yl)methanol
|
|
Chemical Data
|
|
SMILES:
|
OCC1CN(Cc2ccccc2)CCO1
|
|
InChI Key:
|
WQNIKIMRIXHNFF-UHFFFAOYAS
|
|
Molecular Formula:
|
C12H17NO2
|
|
Molecular Weight:
|
207.2689
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-001-067
|
|
IUPAC
|
|
tert-butyl 4-(4-aminophenoxy)piperidine-1-carboxylate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc(N)cc1
|
|
InChI Key:
|
WEIBGUDKHYWNMW-UHFFFAOYAZ
|
|
Molecular Formula:
|
C16H24N2O3
|
|
Molecular Weight:
|
292.3734
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-003-965
|
|
CAS Number
|
|
135065-69-9
|
|
IUPAC
|
|
tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CCOC(CO)C1
|
|
InChI Key:
|
FJYBLMJHXRWDAQ-UHFFFAOYAC
|
|
Molecular Formula:
|
C10H19NO4
|
|
Molecular Weight:
|
217.2622
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-003-985-771
|
|
CAS Number
|
|
502649-29-8
|
|
IUPAC
|
|
tert-butyl 3-benzylpiperazine-1-carboxylate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CCNC(Cc2ccccc2)C1
|
|
InChI Key:
|
YFIAVMMGSRDLLG-UHFFFAOYAB
|
|
Molecular Formula:
|
C16H24N2O2
|
|
Molecular Weight:
|
276.374
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-001-704
|
|
CAS Number
|
|
189321-66-2
|
|
IUPAC
|
|
4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CCOC(C1)C(O)=O
|
|
InChI Key:
|
LGWMTRPJZFEWCX-UHFFFAOYAF
|
|
Molecular Formula:
|
C10H17NO5
|
|
Molecular Weight:
|
231.2457
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-001-794-895
|
|
IUPAC
|
|
2-{2-azabicyclo[2.2.1]heptan-2-yl}acetic acid
|
|
Chemical Data
|
|
SMILES:
|
OC(=O)CN1CC2CCC1C2
|
|
InChI Key:
|
UUDNITWWYBIYOX-UHFFFAOYAI
|
|
Molecular Formula:
|
C8H13NO2
|
|
Molecular Weight:
|
155.1943
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-056
|
|
Chemical Data
|
|
SMILES:
|
OC(=O)CCN1CC2CCC1C2
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C9H15NO2
|
|
Molecular Weight:
|
169.2209
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-057
|
|
Chemical Data
|
|
SMILES:
|
CCOC(=O)C(CN)C1CCCCC1
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C11H21NO2
|
|
Molecular Weight:
|
199.2899
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-006-701-058
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CCC2C1CCCC2O
|
|
InChI Key:
|
n/a
|
|
Molecular Formula:
|
C13H23NO3
|
|
Molecular Weight:
|
241.3266
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-290
|
|
CAS Number
|
|
87120-72-7
|
|
IUPAC
|
|
tert-butyl 4-aminopiperidine-1-carboxylate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)N1CCC(N)CC1
|
|
InChI Key:
|
LZRDHSFPLUWYAX-UHFFFAOYAC
|
|
Molecular Formula:
|
C10H20N2O2
|
|
Molecular Weight:
|
200.278
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-001-442
|
|
CAS Number
|
|
73874-95-0
|
|
IUPAC
|
|
tert-butyl N-(piperidin-4-yl)carbamate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)NC1CCNCC1
|
|
InChI Key:
|
CKXZPVPIDOJLLM-UHFFFAOYAU
|
|
Molecular Formula:
|
C10H20N2O2
|
|
Molecular Weight:
|
200.278
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-001-531
|
|
CAS Number
|
|
172603-05-3
|
|
IUPAC
|
|
tert-butyl N-(piperidin-3-yl)carbamate
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(C)OC(=O)NC1CCCNC1
|
|
InChI Key:
|
WUOQXNWMYLFAHT-UHFFFAOYAB
|
|
Molecular Formula:
|
C10H20N2O2
|
|
Molecular Weight:
|
200.278
|
|
|
|