4-{1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl}morpholine

• ChemBase ID: 370346
• Molecular Formular: C14H21ClN2OS
• Molecular Mass: 300.84734
• Monoisotopic Mass: 300.10631198
• SMILES: s1c(ccc1CN1CC(N2CCOCC2)CCC1)Cl
• Canonical SMILES: Clc1ccc(s1)CN1CCCC(C1)N1CCOCC1
• InChI: InChI=1S/C14H21ClN2OS/c15-14-4-3-13(19-14)11-16-5-1-2-12(10-16)17-6-8-18-9-7-17/h3-4,12H,1-2,5-11H2
• InChIKey: ZPIYLBOSGNMWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl}morpholine
• IUPAC Traditional name: 4-{1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl}morpholine
• Synonyms: 4-{1-[(5-chloro-2-thienyl)methyl]-3-piperidinyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.3435503
• LogD (pH = 7.4): 2.1218603
• Log P: 2.8632731
• Molar Refractivity: 79.7601 cm^3
• Polarizability: 31.615253 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.95
• LOG S: -0.91
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 3