N-[3-(dimethylamino)propyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine

• ChemBase ID: 488894
• Molecular Formular: C20H35N3
• Molecular Mass: 317.512
• Monoisotopic Mass: 317.28309814
• SMILES: N1(CC(N(CCCN(C)C)C)CCC1)CCCc1ccccc1
• Canonical SMILES: CN(CCCN(C1CCCN(C1)CCCc1ccccc1)C)C
• InChI: InChI=1S/C20H35N3/c1-21(2)14-9-15-22(3)20-13-8-17-23(18-20)16-7-12-19-10-5-4-6-11-19/h4-6,10-11,20H,7-9,12-18H2,1-3H3
• InChIKey: IWUDLLLXTYXDOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine
• Synonyms: N,N,N'-trimethyl-N'-[1-(3-phenylpropyl)-3-piperidinyl]-1,3-propanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.6108897
• LogD (pH = 7.4): -1.3311148
• Log P: 3.2106857
• Molar Refractivity: 102.0715 cm^3
• Polarizability: 39.96847 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.27
• LOG S: -1.11
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 8