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

• ChemBase ID: 278454
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N(c1cc(ccc1)C)C1CCNCC1
• Canonical SMILES: Cc1cccc(c1)NC1CCNCC1
• InChI: InChI=1S/C12H18N2/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11/h2-4,9,11,13-14H,5-8H2,1H3
• InChIKey: JGBUGLFDHDBOOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12822073
• PubChem SID: 164334364
• PubChem CID: 53534960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6219113
• LogD (pH = 7.4): -0.89239377
• Log P: 1.6032035
• Molar Refractivity: 61.4494 cm^3
• Polarizability: 23.272156 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.752

Product Information

• Purity: 95%