1-(cyclohexylamino)piperidine-4-carboxylic acid

C12H22N2O2 — CID 91071046

IUPAC1-(cyclohexylamino)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(NC2CCCCC2)CC1
InChIInChI=1S/C12H22N2O2/c15-12(16)10-6-8-14(9-7-10)13-11-4-2-1-3-5-11/h10-11,13H,1-9H2,(H,15,16)
InChIKeyKBQXZIRBRJNTQG-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.62
Rot. Bonds3

About 1-(cyclohexylamino)piperidine-4-carboxylic acid

1-(cyclohexylamino)piperidine-4-carboxylic acid (PubChem CID 91071046) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(cyclohexylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylamino)piperidine-4-carboxylic acid
PubChem CID91071046
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(cyclohexylamino)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(NC2CCCCC2)CC1
InChIInChI=1S/C12H22N2O2/c15-12(16)10-6-8-14(9-7-10)13-11-4-2-1-3-5-11/h10-11,13H,1-9H2,(H,15,16)
InChIKeyKBQXZIRBRJNTQG-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylamino)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclohexylamino)piperidine-4-carboxylic acid (CID 91071046) is 1-(cyclohexylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclohexylamino)piperidine-4-carboxylic acid is O=C(O)C1CCN(NC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylamino)piperidine-4-carboxylic acid?
The InChIKey is KBQXZIRBRJNTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(16)10-6-8-14(9-7-10)13-11-4-2-1-3-5-11/h10-11,13H,1-9H2,(H,15,16).
What are the key properties of 1-(cyclohexylamino)piperidine-4-carboxylic acid?
1-(cyclohexylamino)piperidine-4-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 91071046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).