4-(oxiran-2-ylmethyl)piperidine

• ChemBase ID: 295105
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1CNCCC1CC1CO1
• Canonical SMILES: N1CCC(CC1)CC1OC1
• InChI: InChI=1S/C8H15NO/c1-3-9-4-2-7(1)5-8-6-10-8/h7-9H,1-6H2
• InChIKey: MSZZYLWFCRBMCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxiran-2-ylmethyl)piperidine
• IUPAC Traditional name: 4-(oxiran-2-ylmethyl)piperidine
• Synonyms: 4-(2-Oxiranylmethyl)piperidine; 4-(2,3-Epoxypropyl)piperidine

Database IDs

• PubChem SID: 180680636
• PubChem CID: 55300278

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.74782
• LogD (pH = 7.4): -2.29142
• Log P: 0.48376542
• Molar Refractivity: 40.3661 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 24.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%