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

• ChemBase ID: 267723
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1CCC(Nc2ccc(cc2)C)CC1
• Canonical SMILES: Cc1ccc(cc1)NC1CCNCC1
• InChI: InChI=1S/C12H18N2/c1-10-2-4-11(5-3-10)14-12-6-8-13-9-7-12/h2-5,12-14H,6-9H2,1H3
• InChIKey: RUDYFATVFHYYBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12778534
• PubChem SID: 164323633
• PubChem CID: 23020914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6300402
• LogD (pH = 7.4): -0.89249915
• Log P: 1.6032035
• Molar Refractivity: 61.4494 cm^3
• Polarizability: 23.27127 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 1.752

Product Information

• Purity: 95%