N'-phenylpiperidine-1-carboximidamide

• ChemBase ID: 284099
• Molecular Formular: C12H17N3
• Molecular Mass: 203.28348
• Monoisotopic Mass: 203.14224756
• SMILES: C(=N\c1ccccc1)(\N1CCCCC1)/N
• Canonical SMILES: N/C(=N/c1ccccc1)/N1CCCCC1
• InChI: InChI=1S/C12H17N3/c13-12(15-9-5-2-6-10-15)14-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,13,14)
• InChIKey: TZEFIKHIRATNEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-phenylpiperidine-1-carboximidamide
• IUPAC Traditional name: N'-phenylpiperidine-1-carboximidamide
• Synonyms: N'-phenylpiperidine-1-carboximidamide

Database IDs

• MDL Number: MFCD16742434
• PubChem SID: 180669630
• PubChem CID: 11074478

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.41929427
• LogD (pH = 7.4): 0.4197646
• Log P: 1.9688764
• Molar Refractivity: 64.3437 cm^3
• Polarizability: 23.631765 Å^3
• Polar Surface Area: 41.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): 2.629

Product Information

• Purity: 95%