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

• ChemBase ID: 306877
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C(C1CCNCC1)(C(C)C)O
• Canonical SMILES: OC(C1CCNCC1)C(C)C
• InChI: InChI=1S/C9H19NO/c1-7(2)9(11)8-3-5-10-6-4-8/h7-11H,3-6H2,1-2H3
• InChIKey: OWZCWTGEQMLUNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(piperidin-4-yl)propan-1-ol
• IUPAC Traditional name: 2-methyl-1-(piperidin-4-yl)propan-1-ol
• Synonyms: 2-methyl-1-piperidin-4-ylpropan-1-ol

Database IDs

• CAS Number: 915919-67-4
• MDL Number: MFCD08059781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3312285
• LogD (pH = 7.4): -1.6606241
• Log P: 0.8898521
• Molar Refractivity: 46.6501 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 32.26 Å^2