4-(propan-2-yl)piperidin-4-ol hydrochloride

• ChemBase ID: 286433
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: C1(C(C)C)(CCNCC1)O.Cl
• Canonical SMILES: CC(C1(O)CCNCC1)C.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-7(2)8(10)3-5-9-6-4-8;/h7,9-10H,3-6H2,1-2H3;1H
• InChIKey: BEHSWFMJUVKFGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)piperidin-4-ol hydrochloride
• IUPAC Traditional name: 4-isopropylpiperidin-4-ol hydrochloride
• Synonyms: 4-(propan-2-yl)piperidin-4-ol hydrochloride

Database IDs

• MDL Number: MFCD21602808
• PubChem SID: 180671964
• PubChem CID: 73994867

CALCULATED PROPERTIES

• Acid pKa: 14.488993
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9044733
• LogD (pH = 7.4): -1.9715844
• Log P: 0.293253
• Molar Refractivity: 42.0515 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.295

Product Information

• Purity: 95%