4-(cyclohexylmethyl)piperazine-1-carboxylic acid

C12H22N2O2 — CID 22047999

IUPAC4-(cyclohexylmethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C12H22N2O2/c15-12(16)14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,16)
InChIKeyYLPAAVJSMCHJMW-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.86
Rot. Bonds2

About 4-(cyclohexylmethyl)piperazine-1-carboxylic acid

4-(cyclohexylmethyl)piperazine-1-carboxylic acid (PubChem CID 22047999) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylmethyl)piperazine-1-carboxylic acid
PubChem CID22047999
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(cyclohexylmethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C12H22N2O2/c15-12(16)14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,16)
InChIKeyYLPAAVJSMCHJMW-UHFFFAOYSA-N
XLogP1.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(cyclohexylmethyl)piperazine-1-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 4-(cyclohexylmethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(cyclohexylmethyl)piperazine-1-carboxylic acid (CID 22047999) is 4-(cyclohexylmethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylmethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(cyclohexylmethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylmethyl)piperazine-1-carboxylic acid?
The InChIKey is YLPAAVJSMCHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(16)14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,16).
What are the key properties of 4-(cyclohexylmethyl)piperazine-1-carboxylic acid?
4-(cyclohexylmethyl)piperazine-1-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22047999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).