N-cyclohexylpiperazine-1-carboxamide

• ChemBase ID: 124541
• Molecular Formular: C11H21N3O
• Molecular Mass: 211.30394
• Monoisotopic Mass: 211.16846231
• SMILES: C(=O)(N1CCNCC1)NC1CCCCC1
• Canonical SMILES: O=C(N1CCNCC1)NC1CCCCC1
• InChI: InChI=1S/C11H21N3O/c15-11(14-8-6-12-7-9-14)13-10-4-2-1-3-5-10/h10,12H,1-9H2,(H,13,15)
• InChIKey: MWPLPMJIIQLMMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylpiperazine-1-carboxamide
• IUPAC Traditional name: N-cyclohexylpiperazine-1-carboxamide
• Synonyms: N-cyclohexylpiperazine-1-carboxamide

Database IDs

• MDL Number: MFCD07392820
• PubChem SID: 162218894
• PubChem CID: 6489234

CALCULATED PROPERTIES

• Acid pKa: 15.606738
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7007378
• LogD (pH = 7.4): 0.012642261
• Log P: 0.5705365
• Molar Refractivity: 59.6023 cm^3
• Polarizability: 23.405476 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 315 - 317°C
• Hydrophobicity(logP): 1.764

Product Information

• Purity: 95%