1-[(2-fluorophenyl)methyl]-N-[2-methyl-2-(morpholin-4-ylmethyl)propyl]piperidin-3-amine

• ChemBase ID: 677626
• Molecular Formular: C21H34FN3O
• Molecular Mass: 363.5125632
• Monoisotopic Mass: 363.26859094
• SMILES: N1(Cc2c(F)cccc2)CC(NCC(CN2CCOCC2)(C)C)CCC1
• Canonical SMILES: Fc1ccccc1CN1CCCC(C1)NCC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C21H34FN3O/c1-21(2,17-24-10-12-26-13-11-24)16-23-19-7-5-9-25(15-19)14-18-6-3-4-8-20(18)22/h3-4,6,8,19,23H,5,7,9-17H2,1-2H3
• InChIKey: ZIIYOMYIZIDFMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-fluorophenyl)methyl]-N-[2-methyl-2-(morpholin-4-ylmethyl)propyl]piperidin-3-amine
• IUPAC Traditional name: 1-[(2-fluorophenyl)methyl]-N-[2-methyl-2-(morpholin-4-ylmethyl)propyl]piperidin-3-amine
• Synonyms: N-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1-(2-fluorobenzyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1481619
• LogD (pH = 7.4): 0.47305033
• Log P: 2.9902847
• Molar Refractivity: 105.471 cm^3
• Polarizability: 41.413162 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.87
• LOG S: -1.0
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 7