(4-aminopiperidin-4-yl)methanol dihydrochloride

• ChemBase ID: 286519
• Molecular Formular: C6H16Cl2N2O
• Molecular Mass: 203.11004
• Monoisotopic Mass: 202.0639685
• SMILES: C1(N)(CCNCC1)CO.Cl.Cl
• Canonical SMILES: OCC1(N)CCNCC1.Cl.Cl
• InChI: InChI=1S/C6H14N2O.2ClH/c7-6(5-9)1-3-8-4-2-6;;/h8-9H,1-5,7H2;2*1H
• InChIKey: KMMUGTOPOLLQTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminopiperidin-4-yl)methanol dihydrochloride
• IUPAC Traditional name: (4-aminopiperidin-4-yl)methanol dihydrochloride
• Synonyms: (4-aminopiperidin-4-yl)methanol dihydrochloride

Database IDs

• MDL Number: MFCD21602821
• PubChem SID: 180672050
• PubChem CID: 21882556

CALCULATED PROPERTIES

• Acid pKa: 14.78046
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -7.1256776
• LogD (pH = 7.4): -5.0012712
• Log P: -1.748034
• Molar Refractivity: 36.2571 cm^3
• Polarizability: 14.724356 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234 - 236°C
• Hydrophobicity(logP): -1.693

Product Information

• Purity: 95%