2-methylpropyl 4-(hydroxymethyl)piperidine-1-carboxylate

• ChemBase ID: 267411
• Molecular Formular: C11H21NO3
• Molecular Mass: 215.28934
• Monoisotopic Mass: 215.15214354
• SMILES: C(=O)(N1CCC(CC1)CO)OCC(C)C
• Canonical SMILES: OCC1CCN(CC1)C(=O)OCC(C)C
• InChI: InChI=1S/C11H21NO3/c1-9(2)8-15-11(14)12-5-3-10(7-13)4-6-12/h9-10,13H,3-8H2,1-2H3
• InChIKey: QYPIIXOLVJDESZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropyl 4-(hydroxymethyl)piperidine-1-carboxylate
• IUPAC Traditional name: 2-methylpropyl 4-(hydroxymethyl)piperidine-1-carboxylate
• Synonyms: 2-methylpropyl 4-(hydroxymethyl)piperidine-1-carboxylate

Database IDs

• MDL Number: MFCD12813161
• PubChem SID: 164323321
• PubChem CID: 47003015

CALCULATED PROPERTIES

• Log P: 1.0593184
• Molar Refractivity: 58.1694 cm^3
• Polarizability: 22.806097 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.467144
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0593184
• LogD (pH = 7.4): 1.0593184

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.62

Product Information

• Purity: 95%