N-cyclohexylpiperidin-4-amine

• ChemBase ID: 34556
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: C1NCCC(C1)NC1CCCCC1
• Canonical SMILES: C1CCC(CC1)NC1CCNCC1
• InChI: InChI=1S/C11H22N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h10-13H,1-9H2
• InChIKey: HVAXYVOABONBEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylpiperidin-4-amine
• IUPAC Traditional name: N-cyclohexylpiperidin-4-amine
• Synonyms: N-Cyclohexylpiperidin-4-amine

Database IDs

• MDL Number: MFCD06740677
• PubChem SID: 160997863
• PubChem CID: 4778242

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.6985035
• LogD (pH = 7.4): -2.8552318
• Log P: 1.2501502
• Molar Refractivity: 55.864 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false