4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid

C12H22N2O3 — CID 106498499

IUPAC4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCNCC2)CC1
InChIInChI=1S/C12H22N2O3/c15-11(16)10-1-3-12(17,4-2-10)9-14-7-5-13-6-8-14/h10,13,17H,1-9H2,(H,15,16)
InChIKeyXPYKRUDUWCDSLF-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.10
Rot. Bonds3

About 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid

4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 106498499) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID106498499
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCNCC2)CC1
InChIInChI=1S/C12H22N2O3/c15-11(16)10-1-3-12(17,4-2-10)9-14-7-5-13-6-8-14/h10,13,17H,1-9H2,(H,15,16)
InChIKeyXPYKRUDUWCDSLF-UHFFFAOYSA-N
XLogP-0.10
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-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-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid (CID 106498499) is 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)(CN2CCNCC2)CC1.
What is the InChIKey of 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is XPYKRUDUWCDSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-11(16)10-1-3-12(17,4-2-10)9-14-7-5-13-6-8-14/h10,13,17H,1-9H2,(H,15,16).
What are the key properties of 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid?
4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).