4-methyl-1-(oxiran-2-ylmethyl)piperidine

• ChemBase ID: 263018
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: O1C(C1)CN1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)CC1CO1
• InChI: InChI=1S/C9H17NO/c1-8-2-4-10(5-3-8)6-9-7-11-9/h8-9H,2-7H2,1H3
• InChIKey: ZXECTFQQKBDZQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(oxiran-2-ylmethyl)piperidine
• IUPAC Traditional name: 4-methyl-1-(oxiran-2-ylmethyl)piperidine
• Synonyms: 4-methyl-1-(oxiran-2-ylmethyl)piperidine

Database IDs

• MDL Number: MFCD06761677
• PubChem SID: 164318928
• PubChem CID: 13313618

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.0809078
• LogD (pH = 7.4): -0.538953
• Log P: 1.1688213
• Molar Refractivity: 45.4234 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 15.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.372

Product Information

• Purity: 95%