1-benzyl-4-hydrazinylpiperidine trihydrochloride

• ChemBase ID: 15566
• Molecular Formular: C12H22Cl3N3
• Molecular Mass: 314.68218
• Monoisotopic Mass: 313.08793076
• SMILES: C1(NN)CCN(CC1)Cc1ccccc1.Cl.Cl.Cl
• Canonical SMILES: NNC1CCN(CC1)Cc1ccccc1.Cl.Cl.Cl
• InChI: InChI=1S/C12H19N3.3ClH/c13-14-12-6-8-15(9-7-12)10-11-4-2-1-3-5-11;;;/h1-5,12,14H,6-10,13H2;3*1H
• InChIKey: VZMLRASHOJBKCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-hydrazinylpiperidine trihydrochloride
• IUPAC Traditional name: 1-benzyl-4-hydrazinylpiperidine trihydrochloride
• Synonyms: 1-Benzyl-4-hydrazinopiperidine trihydrochloride

Database IDs

• CAS Number: 83949-42-2
• MDL Number: MFCD06799853
• PubChem SID: 160978873
• PubChem CID: 45074973

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5315747
• LogD (pH = 7.4): -1.0021678
• Log P: 0.941165
• Molar Refractivity: 74.9594 cm^3
• Polarizability: 25.06198 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false