N-[3-(dimethylamino)propyl]-1-[(4-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidin-3-amine

• ChemBase ID: 862074
• Molecular Formular: C19H32FN3O
• Molecular Mass: 337.4752832
• Monoisotopic Mass: 337.25294088
• SMILES: N1(CC(N(CCCN(C)C)C)CCC1)Cc1cc(c(cc1)F)OC
• Canonical SMILES: COc1cc(ccc1F)CN1CCCC(C1)N(CCCN(C)C)C
• InChI: InChI=1S/C19H32FN3O/c1-21(2)10-6-11-22(3)17-7-5-12-23(15-17)14-16-8-9-18(20)19(13-16)24-4/h8-9,13,17H,5-7,10-12,14-15H2,1-4H3
• InChIKey: MUTZWEYDIQCRFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-1-[(4-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-1-[(4-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
• Synonyms: N-[1-(4-fluoro-3-methoxybenzyl)-3-piperidinyl]-N,N',N'-trimethyl-1,3-propanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.506592
• LogD (pH = 7.4): -0.79650813
• Log P: 2.4624865
• Molar Refractivity: 99.3951 cm^3
• Polarizability: 38.44176 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.67
• LOG S: -0.26
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6