N-(3-methoxypropyl)-1-methyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 865564
• Molecular Formular: C15H26N2OS
• Molecular Mass: 282.44474
• Monoisotopic Mass: 282.17658446
• SMILES: N(C1CCN(CC1)C)(Cc1sccc1)CCCOC
• Canonical SMILES: COCCCN(C1CCN(CC1)C)Cc1cccs1
• InChI: InChI=1S/C15H26N2OS/c1-16-9-6-14(7-10-16)17(8-4-11-18-2)13-15-5-3-12-19-15/h3,5,12,14H,4,6-11,13H2,1-2H3
• InChIKey: CVEXVMJAUPUIMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-1-methyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-(3-methoxypropyl)-1-methyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
• Synonyms: N-(3-methoxypropyl)-1-methyl-N-(2-thienylmethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.1393573
• LogD (pH = 7.4): -0.92000073
• Log P: 1.8673143
• Molar Refractivity: 82.8506 cm^3
• Polarizability: 32.250175 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.48
• LOG S: -2.37
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7