1-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-4-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 691768
• Molecular Formular: C18H35N3O
• Molecular Mass: 309.49
• Monoisotopic Mass: 309.27801276
• SMILES: N1(C2CCN(CC2)CC2CCN(CC2)CCOC)CCCC1
• Canonical SMILES: COCCN1CCC(CC1)CN1CCC(CC1)N1CCCC1
• InChI: InChI=1S/C18H35N3O/c1-22-15-14-19-10-4-17(5-11-19)16-20-12-6-18(7-13-20)21-8-2-3-9-21/h17-18H,2-16H2,1H3
• InChIKey: HGHFFMPLLCAVDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-4-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-4-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-(2-methoxyethyl)-4-{[4-(1-pyrrolidinyl)-1-piperidinyl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -7.944477
• LogD (pH = 7.4): -4.178822
• Log P: 1.0632044
• Molar Refractivity: 94.2928 cm^3
• Polarizability: 36.980816 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.51
• LOG S: -1.74
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6