2-(4-methoxypiperidin-1-yl)-2-methylpropan-1-amine

• ChemBase ID: 272019
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(C(CN)(C)C)CCC(CC1)OC
• Canonical SMILES: NCC(N1CCC(CC1)OC)(C)C
• InChI: InChI=1S/C10H22N2O/c1-10(2,8-11)12-6-4-9(13-3)5-7-12/h9H,4-8,11H2,1-3H3
• InChIKey: GHVLLRIIFHCHJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxypiperidin-1-yl)-2-methylpropan-1-amine
• IUPAC Traditional name: 2-(4-methoxypiperidin-1-yl)-2-methylpropan-1-amine
• Synonyms: 2-(4-methoxypiperidin-1-yl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD12167159
• PubChem SID: 164327929
• PubChem CID: 43372742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.907294
• LogD (pH = 7.4): -2.5889993
• Log P: 0.051523447
• Molar Refractivity: 55.4704 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.089

Product Information

• Purity: 95%