1-(4-methylphenyl)piperidin-3-amine

• ChemBase ID: 283204
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(c2ccc(cc2)C)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)c1ccc(cc1)C
• InChI: InChI=1S/C12H18N2/c1-10-4-6-12(7-5-10)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9,13H2,1H3
• InChIKey: FVOMXRHHPMCQHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylphenyl)piperidin-3-amine
• IUPAC Traditional name: 1-(4-methylphenyl)piperidin-3-amine
• Synonyms: 1-(4-methylphenyl)piperidin-3-amine

Database IDs

• MDL Number: MFCD16074652
• PubChem SID: 180668735
• PubChem CID: 54595674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.75232697
• LogD (pH = 7.4): -0.100564964
• Log P: 2.2632918
• Molar Refractivity: 60.6888 cm^3
• Polarizability: 23.27045 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.223

Product Information

• Purity: 95%