2-(piperazin-1-yl)cyclohexan-1-ol

• ChemBase ID: 18026
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(C2C(O)CCCC2)CCNCC1
• Canonical SMILES: OC1CCCCC1N1CCNCC1
• InChI: InChI=1S/C10H20N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h9-11,13H,1-8H2
• InChIKey: FQHUZPOZJAVZIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)cyclohexan-1-ol
• IUPAC Traditional name: 2-(piperazin-1-yl)cyclohexan-1-ol
• Synonyms: 2-Piperazin-1-yl-cyclohexanol; 2-piperazin-1-ylcyclohexanol

Database IDs

• CAS Number: 759402-42-1
• MDL Number: MFCD07801128
• PubChem SID: 160981333
• PubChem CID: 6484175

CALCULATED PROPERTIES

• Acid pKa: 14.596604
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1763966
• LogD (pH = 7.4): -1.8960305
• Log P: 0.37860802
• Molar Refractivity: 53.1192 cm^3
• Polarizability: 21.362965 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false