1-cyclohexanecarbonylpiperidin-4-amine

• ChemBase ID: 257611
• Molecular Formular: C12H22N2O
• Molecular Mass: 210.31588
• Monoisotopic Mass: 210.17321333
• SMILES: N1(C(=O)C2CCCCC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C(=O)C1CCCCC1
• InChI: InChI=1S/C12H22N2O/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h10-11H,1-9,13H2
• InChIKey: PRGJXILKTAARNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexanecarbonylpiperidin-4-amine
• IUPAC Traditional name: 1-cyclohexanecarbonylpiperidin-4-amine
• Synonyms: 1-(cyclohexylcarbonyl)piperidin-4-amine

Database IDs

• CAS Number: 565453-24-9
• MDL Number: MFCD09044156
• PubChem SID: 164313521
• PubChem CID: 16771849

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2760906
• LogD (pH = 7.4): -1.7071494
• Log P: 0.7417438
• Molar Refractivity: 60.8433 cm^3
• Polarizability: 24.10781 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 0.025

Product Information

• Purity: 95%