(1-methyl-4-phenylpiperidin-4-yl)methanamine

• ChemBase ID: 306966
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: C1(CCN(CC1)C)(c1ccccc1)CN
• Canonical SMILES: NCC1(CCN(CC1)C)c1ccccc1
• InChI: InChI=1S/C13H20N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-11,14H2,1H3
• InChIKey: WHJANSWOSODZBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-4-phenylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-methyl-4-phenylpiperidin-4-yl)methanamine
• Synonyms: 1-(1-methyl-4-phenylpiperidin-4-yl)methanamine

Database IDs

• CAS Number: 1859-37-6
• MDL Number: MFCD06662284

CALCULATED PROPERTIES

• Molar Refractivity: 64.681 cm^3
• Polarizability: 25.519917 Å^3
• Polar Surface Area: 29.26 Å^2
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9147954
• LogD (pH = 7.4): -2.4934428
• Log P: 1.3737528