1-(cyclohexylmethyl)piperidin-4-amine

• ChemBase ID: 18683
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(CC2CCCCC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC1CCCCC1
• InChI: InChI=1S/C12H24N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h11-12H,1-10,13H2
• InChIKey: WYDUUQNGNSXLRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(cyclohexylmethyl)piperidin-4-amine
• Synonyms: 1-(cyclohexylmethyl)piperidin-4-amine; 1-Cyclohexylmethyl-piperidin-4-ylamine

Database IDs

• CAS Number: 64306-77-0
• MDL Number: MFCD04118096
• PubChem SID: 160981990
• PubChem CID: 6496941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3090415
• LogD (pH = 7.4): -2.3212278
• Log P: 1.5156305
• Molar Refractivity: 61.1149 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.874

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%