4-methylpiperidine-1-carboximidamide hydrochloride

• ChemBase ID: 31580
• Molecular Formular: C7H16ClN3
• Molecular Mass: 177.67504
• Monoisotopic Mass: 177.10327521
• SMILES: C(=N)(N1CCC(CC1)C)N.Cl
• Canonical SMILES: CC1CCN(CC1)C(=N)N.Cl
• InChI: InChI=1S/C7H15N3.ClH/c1-6-2-4-10(5-3-6)7(8)9;/h6H,2-5H2,1H3,(H3,8,9);1H
• InChIKey: AZNOAFHPTPQUBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperidine-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-methylpiperidine-1-carboximidamide hydrochloride
• Synonyms: 4-Methyl-piperidine-1-carboxamidine hydrochloride

Database IDs

• MDL Number: MFCD11506594
• PubChem SID: 160994887
• PubChem CID: 46736523

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.975322
• LogD (pH = 7.4): -1.9748981
• Log P: 0.44013166
• Molar Refractivity: 52.6187 cm^3
• Polarizability: 15.892349 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false