2-(1-benzylpiperidin-4-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 740683
• Molecular Formular: C20H31N3
• Molecular Mass: 313.48024
• Monoisotopic Mass: 313.25179801
• SMILES: N1(C2CCN(CC2)Cc2ccccc2)CC2(CC1)CNCCC2
• Canonical SMILES: C1CCC2(CN1)CCN(C2)C1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C20H31N3/c1-2-5-18(6-3-1)15-22-12-7-19(8-13-22)23-14-10-20(17-23)9-4-11-21-16-20/h1-3,5-6,19,21H,4,7-17H2
• InChIKey: UJBGGBGNLADJCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzylpiperidin-4-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(1-benzylpiperidin-4-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(1-benzylpiperidin-4-yl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.811689
• LogD (pH = 7.4): -2.6608136
• Log P: 2.106183
• Molar Refractivity: 97.5387 cm^3
• Polarizability: 38.56144 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.88
• LOG S: -2.94
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3