N-methyl-1-phenylpiperidin-4-amine

• ChemBase ID: 247245
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(CCC(CC1)NC)c1ccccc1
• Canonical SMILES: CNC1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C12H18N2/c1-13-11-7-9-14(10-8-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
• InChIKey: OZJZPNVBIUCMIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-phenylpiperidin-4-amine
• IUPAC Traditional name: N-methyl-1-phenylpiperidin-4-amine
• Synonyms: N-methyl-1-phenylpiperidin-4-amine

Database IDs

• MDL Number: MFCD11640905
• PubChem SID: 164303155
• PubChem CID: 20664714

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5184853
• LogD (pH = 7.4): -1.0330806
• Log P: 1.7250478
• Molar Refractivity: 60.643 cm^3
• Polarizability: 23.351963 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.139

Product Information

• Purity: 95%