2-amino-1-(2-methylpiperidin-1-yl)propan-1-one

• ChemBase ID: 268315
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N1(C(=O)C(N)C)C(C)CCCC1
• Canonical SMILES: CC1CCCCN1C(=O)C(N)C
• InChI: InChI=1S/C9H18N2O/c1-7-5-3-4-6-11(7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3
• InChIKey: FZZIMRQDJKXDFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(2-methylpiperidin-1-yl)propan-1-one
• IUPAC Traditional name: 2-amino-1-(2-methylpiperidin-1-yl)propan-1-one
• Synonyms: 2-amino-1-(2-methylpiperidin-1-yl)propan-1-one

Database IDs

• MDL Number: MFCD09932880
• PubChem SID: 164324225
• PubChem CID: 24694399

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3213117
• LogD (pH = 7.4): -0.69164693
• Log P: 0.32863936
• Molar Refractivity: 48.6737 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.567

Product Information

• Purity: 95%