1-phenylpiperidine-2-carbonitrile

• ChemBase ID: 289149
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: N#CC1N(c2ccccc2)CCCC1
• Canonical SMILES: N#CC1CCCCN1c1ccccc1
• InChI: InChI=1S/C12H14N2/c13-10-12-8-4-5-9-14(12)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-9H2
• InChIKey: HGRUZNGXEJJQCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpiperidine-2-carbonitrile
• IUPAC Traditional name: 1-phenylpiperidine-2-carbonitrile
• Synonyms: 1-Phenylpiperidine-2-carbonitrile

Database IDs

• CAS Number: 68078-10-4
• MDL Number: MFCD21603820
• PubChem SID: 180674680
• PubChem CID: 11309958

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6795442
• LogD (pH = 7.4): 2.6795442
• Log P: 2.6795442
• Molar Refractivity: 57.4378 cm^3
• Polarizability: 21.639236 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%