1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one

• ChemBase ID: 258172
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(N1CCC(CC1)N)C(C)(C)C
• Canonical SMILES: NC1CCN(CC1)C(=O)C(C)(C)C
• InChI: InChI=1S/C10H20N2O/c1-10(2,3)9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3
• InChIKey: LGPNCEHZFHZVGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one
• IUPAC Traditional name: 1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one
• Synonyms: 1-(2,2-dimethylpropanoyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD09050402
• PubChem SID: 164314082
• PubChem CID: 16777933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5900517
• LogD (pH = 7.4): -2.021115
• Log P: 0.42777804
• Molar Refractivity: 53.3435 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): -0.769

Product Information

• Purity: 95%