1-(4-amino-3-methylpiperidin-1-yl)-2-methylpropan-1-one

• ChemBase ID: 284493
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(C(=O)C(C)C)CC(C(CC1)N)C
• Canonical SMILES: NC1CCN(CC1C)C(=O)C(C)C
• InChI: InChI=1S/C10H20N2O/c1-7(2)10(13)12-5-4-9(11)8(3)6-12/h7-9H,4-6,11H2,1-3H3
• InChIKey: MZAAZXXQYZXWGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-amino-3-methylpiperidin-1-yl)-2-methylpropan-1-one
• IUPAC Traditional name: 1-(4-amino-3-methylpiperidin-1-yl)-2-methylpropan-1-one
• Synonyms: 1-(4-amino-3-methylpiperidin-1-yl)-2-methylpropan-1-one

Database IDs

• MDL Number: MFCD22196681
• PubChem SID: 180670024
• PubChem CID: 73994639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.668257
• LogD (pH = 7.4): -2.131301
• Log P: 0.35108727
• Molar Refractivity: 53.2589 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.649

Product Information

• Purity: 95%