3-amino-4-cyclohexylpiperidine-1-carboxylic acid

C12H22N2O2 — CID 67192296

IUPAC3-amino-4-cyclohexylpiperidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CCC1C1CCCCC1
InChIInChI=1S/C12H22N2O2/c13-11-8-14(12(15)16)7-6-10(11)9-4-2-1-3-5-9/h9-11H,1-8,13H2,(H,15,16)
InChIKeyJIKMUHGRPXCTCY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.89
Rot. Bonds1

About 3-amino-4-cyclohexylpiperidine-1-carboxylic acid

3-amino-4-cyclohexylpiperidine-1-carboxylic acid (PubChem CID 67192296) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-4-cyclohexylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-cyclohexylpiperidine-1-carboxylic acid
PubChem CID67192296
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-4-cyclohexylpiperidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CCC1C1CCCCC1
InChIInChI=1S/C12H22N2O2/c13-11-8-14(12(15)16)7-6-10(11)9-4-2-1-3-5-9/h9-11H,1-8,13H2,(H,15,16)
InChIKeyJIKMUHGRPXCTCY-UHFFFAOYSA-N
XLogP1.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate
CID 84812486
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
4-(1-carbamoylpiperidin-4-yl)-3-cyclohexylpiperidine-1-carboxamide
CID 18468726
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
(3S)-3-aminoazepane-1-carboxylic acid
CID 67077828
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
4-amino-3-hydroxyazepane-1-carboxylic acid
CID 22036680
3-azabicyclo[5.1.0]octane-3-carboxylic acid
CID 150365734

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexylpiperidine-1-carboxylic acid?
The IUPAC name of 3-amino-4-cyclohexylpiperidine-1-carboxylic acid (CID 67192296) is 3-amino-4-cyclohexylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-4-cyclohexylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-4-cyclohexylpiperidine-1-carboxylic acid is NC1CN(C(=O)O)CCC1C1CCCCC1.
What is the InChIKey of 3-amino-4-cyclohexylpiperidine-1-carboxylic acid?
The InChIKey is JIKMUHGRPXCTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-11-8-14(12(15)16)7-6-10(11)9-4-2-1-3-5-9/h9-11H,1-8,13H2,(H,15,16).
What are the key properties of 3-amino-4-cyclohexylpiperidine-1-carboxylic acid?
3-amino-4-cyclohexylpiperidine-1-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexylpiperidine-1-carboxylic acid is sourced from PubChem (CID 67192296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).