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

• ChemBase ID: 265966
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(CCC(CC1)O)C(C)C
• Canonical SMILES: CC(N1CCC(CC1)O)C
• InChI: InChI=1S/C8H17NO/c1-7(2)9-5-3-8(10)4-6-9/h7-8,10H,3-6H2,1-2H3
• InChIKey: UZRXHHMTKCJKTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-isopropylpiperidin-4-ol
• Synonyms: 1-(propan-2-yl)piperidin-4-ol; 1-Isopropylpiperidin-4-ol

Database IDs

• CAS Number: 5570-78-5
• MDL Number: MFCD00101977
• PubChem SID: 164321876
• PubChem CID: 79681

CALCULATED PROPERTIES

• Acid pKa: 15.17926
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1190596
• LogD (pH = 7.4): -1.8853165
• Log P: 0.28161204
• Molar Refractivity: 42.8798 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.132

Product Information

• Purity: 95%; 95+%; 98%