(3S)-piperidin-3-amine dihydrochloride

• ChemBase ID: 813437
• Molecular Formular: C5H14Cl2N2
• Molecular Mass: 173.08406
• Monoisotopic Mass: 172.05340382
• SMILES: Cl.Cl.C1CCNC[C@H]1N
• Canonical SMILES: N[C@H]1CCCNC1.Cl.Cl
• InChI: InChI=1S/C5H12N2.2ClH/c6-5-2-1-3-7-4-5;;/h5,7H,1-4,6H2;2*1H/t5-;;/m0../s1
• InChIKey: GGPNYXIOFZLNKW-XRIGFGBMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-piperidin-3-amine dihydrochloride
• IUPAC Traditional name: (3S)-piperidin-3-amine dihydrochloride
• Synonyms: (S)-3-AMINOPIPERIDINE DIHYDROCHLORIDE

Database IDs

• CAS Number: 334618-07-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.5423007
• LogD (pH = 7.4): -3.3890278
• Log P: -0.5242977
• Molar Refractivity: 29.8544 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%