N-(3-methoxypropyl)-1-methyl-N-(quinolin-5-ylmethyl)piperidin-4-amine

• ChemBase ID: 575416
• Molecular Formular: C20H29N3O
• Molecular Mass: 327.46376
• Monoisotopic Mass: 327.23106256
• SMILES: c1(CN(C2CCN(CC2)C)CCCOC)c2c(nccc2)ccc1
• Canonical SMILES: COCCCN(C1CCN(CC1)C)Cc1cccc2c1cccn2
• InChI: InChI=1S/C20H29N3O/c1-22-13-9-18(10-14-22)23(12-5-15-24-2)16-17-6-3-8-20-19(17)7-4-11-21-20/h3-4,6-8,11,18H,5,9-10,12-16H2,1-2H3
• InChIKey: NOOKYBBZTHERJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-1-methyl-N-(quinolin-5-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-(3-methoxypropyl)-1-methyl-N-(quinolin-5-ylmethyl)piperidin-4-amine
• Synonyms: N-(3-methoxypropyl)-1-methyl-N-(5-quinolinylmethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.9604068
• LogD (pH = 7.4): -1.076585
• Log P: 2.1120875
• Molar Refractivity: 99.882 cm^3
• Polarizability: 40.2891 Å^3
• Polar Surface Area: 28.6 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: 2.67
• LOG S: -2.86
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7