4-hydrazinyl-1-methylpiperidine dihydrochloride

• ChemBase ID: 89949
• Molecular Formular: C6H17Cl2N3
• Molecular Mass: 202.12528
• Monoisotopic Mass: 201.07995292
• SMILES: N1(C)CCC(NN)CC1.Cl.Cl
• Canonical SMILES: NNC1CCN(CC1)C.Cl.Cl
• InChI: InChI=1S/C6H15N3.2ClH/c1-9-4-2-6(8-7)3-5-9;;/h6,8H,2-5,7H2,1H3;2*1H
• InChIKey: SOFIVHWELUXEBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-1-methylpiperidine dihydrochloride
• IUPAC Traditional name: 4-hydrazinyl-1-methylpiperidine dihydrochloride
• Synonyms: 4-Hydrazino-1-methylpiperidine dihydrochloride

Database IDs

• MDL Number: MFCD08059574
• PubChem SID: 162076804
• PubChem CID: 13799979

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.2603774
• LogD (pH = 7.4): -2.7874103
• Log P: -0.78330815
• Molar Refractivity: 50.3468 cm^3
• Polarizability: 15.43642 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant