N-methyl-1-phenylpiperidin-3-amine

• ChemBase ID: 275409
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(CC(NC)CCC1)c1ccccc1
• Canonical SMILES: CNC1CCCN(C1)c1ccccc1
• InChI: InChI=1S/C12H18N2/c1-13-11-6-5-9-14(10-11)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
• InChIKey: FZPVWLVXLUKASG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-phenylpiperidin-3-amine
• IUPAC Traditional name: N-methyl-1-phenylpiperidin-3-amine
• Synonyms: N-methyl-1-phenylpiperidin-3-amine

Database IDs

• MDL Number: MFCD18917348
• PubChem SID: 164331319
• PubChem CID: 54593667

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0235187
• LogD (pH = 7.4): -0.16042158
• Log P: 2.1824508
• Molar Refractivity: 60.4222 cm^3
• Polarizability: 23.351896 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.011

Product Information

• Purity: 95%