N-phenyl-N-(piperidin-4-yl)propanamide

• ChemBase ID: 296478
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: CCC(=O)N(c1ccccc1)C1CCNCC1
• Canonical SMILES: CCC(=O)N(c1ccccc1)C1CCNCC1
• InChI: InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3
• InChIKey: PMCBDBWCQQBSRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-N-(piperidin-4-yl)propanamide
• IUPAC Traditional name: norfentanyl
• Synonyms: N-Phenyl-N-(4-piperidinyl)propionamide; N-PHENYL-N-(4-PIPERIDINYL)PROPANAMIDE; N-苯基-N-(4-哌啶基)哌啶酰胺

Database IDs

• CAS Number: 1609-66-1
• EC Number: 216-543-3
• MDL Number: MFCD00145005
• PubChem SID: 180682009
• PubChem CID: 259381

CALCULATED PROPERTIES

• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8007901
• LogD (pH = 7.4): -1.114998
• Log P: 1.4193163
• Molar Refractivity: 68.8202 cm^3
• Polarizability: 27.062124 Å^3

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%