piperidine-3-carbonitrile hydrochloride

• ChemBase ID: 293513
• Molecular Formular: C6H11ClN2
• Molecular Mass: 146.61794
• Monoisotopic Mass: 146.06107604
• SMILES: N#CC1CNCCC1.Cl
• Canonical SMILES: N#CC1CCCNC1.Cl
• InChI: InChI=1S/C6H10N2.ClH/c7-4-6-2-1-3-8-5-6;/h6,8H,1-3,5H2;1H
• InChIKey: UGNVDGLCOHDISF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-3-carbonitrile hydrochloride
• IUPAC Traditional name: piperidine-3-carbonitrile hydrochloride
• Synonyms: Piperidine-3-carbonitrile hydrochloride

Database IDs

• CAS Number: 1199773-75-5
• PubChem SID: 180679044
• PubChem CID: 53400639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2634504
• LogD (pH = 7.4): -0.5369001
• Log P: 0.0940885
• Molar Refractivity: 31.9006 cm^3
• Polarizability: 12.41968 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%