2-[(6-chloropyridin-3-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 420234
• Molecular Formular: C14H20ClN3
• Molecular Mass: 265.7817
• Monoisotopic Mass: 265.13457534
• SMILES: N1(CC2(CC1)CNCCC2)Cc1cnc(Cl)cc1
• Canonical SMILES: Clc1ccc(cn1)CN1CCC2(C1)CCCNC2
• InChI: InChI=1S/C14H20ClN3/c15-13-3-2-12(8-17-13)9-18-7-5-14(11-18)4-1-6-16-10-14/h2-3,8,16H,1,4-7,9-11H2
• InChIKey: ZVXRGICBQNUHQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-chloropyridin-3-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[(6-chloropyridin-3-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[(6-chloropyridin-3-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6590197
• LogD (pH = 7.4): -1.1320636
• Log P: 1.6859263
• Molar Refractivity: 75.7968 cm^3
• Polarizability: 29.521152 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.46
• LOG S: -1.38
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2