(1,4-dimethylpiperidin-4-yl)methanol

• ChemBase ID: 248513
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(CCC(CC1)(CO)C)C
• Canonical SMILES: OCC1(C)CCN(CC1)C
• InChI: InChI=1S/C8H17NO/c1-8(7-10)3-5-9(2)6-4-8/h10H,3-7H2,1-2H3
• InChIKey: UDWZVJRTZQERAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,4-dimethylpiperidin-4-yl)methanol
• IUPAC Traditional name: (1,4-dimethylpiperidin-4-yl)methanol
• Synonyms: (1,4-dimethyl-4-piperidinyl)methanol; (1,4-dimethylpiperidin-4-yl)methanol

Database IDs

• MDL Number: MFCD20502405
• PubChem SID: 164304423
• PubChem CID: 20646825

CALCULATED PROPERTIES

• Acid pKa: 15.114222
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9436536
• LogD (pH = 7.4): -1.456411
• Log P: 0.34683067
• Molar Refractivity: 42.9285 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): 0.432

Product Information

• Purity: 95%