N-(3-methoxypropyl)-1-methyl-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-amine

• ChemBase ID: 552246
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: c1(nc2c(n1C)cccc2)CN(C1CCN(CC1)C)CCCOC
• Canonical SMILES: COCCCN(C1CCN(CC1)C)Cc1nc2c(n1C)cccc2
• InChI: InChI=1S/C19H30N4O/c1-21-12-9-16(10-13-21)23(11-6-14-24-3)15-19-20-17-7-4-5-8-18(17)22(19)2/h4-5,7-8,16H,6,9-15H2,1-3H3
• InChIKey: QXYJACFUOCHUTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-1-methyl-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: N-(3-methoxypropyl)-1-methyl-N-[(1-methyl-1,3-benzodiazol-2-yl)methyl]piperidin-4-amine
• Synonyms: N-(3-methoxypropyl)-1-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.9355378
• LogD (pH = 7.4): -0.36917233
• Log P: 1.5375336
• Molar Refractivity: 99.0949 cm^3
• Polarizability: 39.71574 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.8
• LOG S: -2.99
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 7