N-methyl-1-(1,2-oxazol-3-ylmethyl)-N-(2-phenylethyl)piperidin-3-amine

• ChemBase ID: 570214
• Molecular Formular: C18H25N3O
• Molecular Mass: 299.4106
• Monoisotopic Mass: 299.19976244
• SMILES: n1c(cco1)CN1CC(N(CCc2ccccc2)C)CCC1
• Canonical SMILES: CN(C1CCCN(C1)Cc1nocc1)CCc1ccccc1
• InChI: InChI=1S/C18H25N3O/c1-20(12-9-16-6-3-2-4-7-16)18-8-5-11-21(15-18)14-17-10-13-22-19-17/h2-4,6-7,10,13,18H,5,8-9,11-12,14-15H2,1H3
• InChIKey: JNZUVHJWKMZQOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(1,2-oxazol-3-ylmethyl)-N-(2-phenylethyl)piperidin-3-amine
• IUPAC Traditional name: N-methyl-1-(1,2-oxazol-3-ylmethyl)-N-(2-phenylethyl)piperidin-3-amine
• Synonyms: 1-(3-isoxazolylmethyl)-N-methyl-N-(2-phenylethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5666613
• LogD (pH = 7.4): 0.6437242
• Log P: 2.8580031
• Molar Refractivity: 90.1184 cm^3
• Polarizability: 34.733406 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.94
• LOG S: -1.26
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 6