dimethyl({[4-(piperidin-2-yl)phenyl]methyl})amine

• ChemBase ID: 306582
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1C(c2ccc(CN(C)C)cc2)CCCC1
• Canonical SMILES: CN(Cc1ccc(cc1)C1CCCCN1)C
• InChI: InChI=1S/C14H22N2/c1-16(2)11-12-6-8-13(9-7-12)14-5-3-4-10-15-14/h6-9,14-15H,3-5,10-11H2,1-2H3
• InChIKey: LKYXWYHLHCVKNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[4-(piperidin-2-yl)phenyl]methyl})amine
• IUPAC Traditional name: dimethyl({[4-(piperidin-2-yl)phenyl]methyl})amine
• Synonyms: N,N-dimethyl-1-(4-piperidin-2-ylphenyl)methanamine; N,N-dimethyl-1-[4-(2-piperidinyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD09864210

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9411683
• LogD (pH = 7.4): -1.3589661
• Log P: 2.3831246
• Molar Refractivity: 69.6609 cm^3
• Polarizability: 27.441658 Å^3
• Polar Surface Area: 15.27 Å^2