(3S)-piperidin-3-ol hydrochloride

• ChemBase ID: 795701
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: Cl.C1CCNC[C@H]1O
• Canonical SMILES: O[C@H]1CCCNC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
• InChIKey: VLECDMDGMKPUSK-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-piperidin-3-ol hydrochloride
• IUPAC Traditional name: (3S)-piperidin-3-ol hydrochloride
• Synonyms: (S)-3-Hydroxypiperidine hydrochloride

Database IDs

• CAS Number: 475058-41-4; 198976-43-1

CALCULATED PROPERTIES

• Acid pKa: 14.895534
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6185102
• LogD (pH = 7.4): -2.7142177
• Log P: -0.41741595
• Molar Refractivity: 28.1969 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%