4-{4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl}morpholine

• ChemBase ID: 550221
• Molecular Formular: C19H23ClN4O
• Molecular Mass: 358.86512
• Monoisotopic Mass: 358.15603906
• SMILES: c1(nc(C2(c3c(Cl)cccc3)CCNCC2)ccn1)N1CCOCC1
• Canonical SMILES: Clc1ccccc1C1(CCNCC1)c1ccnc(n1)N1CCOCC1
• InChI: InChI=1S/C19H23ClN4O/c20-16-4-2-1-3-15(16)19(6-9-21-10-7-19)17-5-8-22-18(23-17)24-11-13-25-14-12-24/h1-5,8,21H,6-7,9-14H2
• InChIKey: BLLQHFHMXLRPSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl}morpholine
• IUPAC Traditional name: 4-{4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl}morpholine
• Synonyms: 4-{4-[4-(2-chlorophenyl)-4-piperidinyl]-2-pyrimidinyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.066146955
• LogD (pH = 7.4): 0.73816615
• Log P: 3.1468759
• Molar Refractivity: 111.0897 cm^3
• Polarizability: 38.39333 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.67
• LOG S: -3.09
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3