1-(2-methylpiperidin-1-yl)propan-1-ol

• ChemBase ID: 107717
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: CCC(O)N1CCCCC1C
• Canonical SMILES: CCC(N1CCCCC1C)O
• InChI: InChI=1S/C9H19NO/c1-3-9(11)10-7-5-4-6-8(10)2/h8-9,11H,3-7H2,1-2H3
• InChIKey: IUXHAOOISRNOAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpiperidin-1-yl)propan-1-ol
• IUPAC Traditional name: 1-(2-methylpiperidin-1-yl)propan-1-ol
• Synonyms: N-(α-HYDROXYPROPYL)-2-METHYLPIPERIDINE

Database IDs

• PubChem SID: 162106076
• PubChem CID: 44135600

CALCULATED PROPERTIES

• Acid pKa: 13.601445
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5095843
• LogD (pH = 7.4): 0.02830255
• Log P: 1.7435156
• Molar Refractivity: 46.9618 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204726

MP Biomedicals Rare Chemical collection