1-[1-(2-methoxyethyl)piperidine-4-carbonyl]-4-(4-methoxyphenoxy)piperidine

• ChemBase ID: 455059
• Molecular Formular: C21H32N2O4
• Molecular Mass: 376.48978
• Monoisotopic Mass: 376.23620751
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(cc1)OC)C1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)C(=O)N1CCC(CC1)Oc1ccc(cc1)OC
• InChI: InChI=1S/C21H32N2O4/c1-25-16-15-22-11-7-17(8-12-22)21(24)23-13-9-20(10-14-23)27-19-5-3-18(26-2)4-6-19/h3-6,17,20H,7-16H2,1-2H3
• InChIKey: KDZFMZRYMCNUHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2-methoxyethyl)piperidine-4-carbonyl]-4-(4-methoxyphenoxy)piperidine
• IUPAC Traditional name: 1-[1-(2-methoxyethyl)piperidine-4-carbonyl]-4-(4-methoxyphenoxy)piperidine
• Synonyms: 1-(2-methoxyethyl)-4-{[4-(4-methoxyphenoxy)-1-piperidinyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.6710936
• LogD (pH = 7.4): 0.03551349
• Log P: 1.3512541
• Molar Refractivity: 105.4765 cm^3
• Polarizability: 41.277218 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.22
• LOG S: -3.84
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 7