2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide

• ChemBase ID: 272903
• Molecular Formular: C9H19N3O
• Molecular Mass: 185.26666
• Monoisotopic Mass: 185.15281224
• SMILES: C(=O)(CN1CCC(CC1)N)N(C)C
• Canonical SMILES: NC1CCN(CC1)CC(=O)N(C)C
• InChI: InChI=1S/C9H19N3O/c1-11(2)9(13)7-12-5-3-8(10)4-6-12/h8H,3-7,10H2,1-2H3
• InChIKey: RHPNKVFDLURNGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide
• Synonyms: 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide

Database IDs

• MDL Number: MFCD09046658
• PubChem SID: 164328813
• PubChem CID: 16774281

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.847344
• LogD (pH = 7.4): -4.2886386
• Log P: -1.4802599
• Molar Refractivity: 53.0701 cm^3
• Polarizability: 20.839008 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.906

Product Information

• Purity: 95%