3-(4-aminopiperidin-1-yl)-N,N-dimethylpropanamide

• ChemBase ID: 272728
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: C(=O)(CCN1CCC(CC1)N)N(C)C
• Canonical SMILES: NC1CCN(CC1)CCC(=O)N(C)C
• InChI: InChI=1S/C10H21N3O/c1-12(2)10(14)5-8-13-6-3-9(11)4-7-13/h9H,3-8,11H2,1-2H3
• InChIKey: OLUYJVIMMJKRAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-aminopiperidin-1-yl)-N,N-dimethylpropanamide
• IUPAC Traditional name: 3-(4-aminopiperidin-1-yl)-N,N-dimethylpropanamide
• Synonyms: 3-(4-aminopiperidin-1-yl)-N,N-dimethylpropanamide

Database IDs

• MDL Number: MFCD12772432
• PubChem SID: 164328638
• PubChem CID: 50988939

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.9292603
• LogD (pH = 7.4): -4.84844
• Log P: -1.2432472
• Molar Refractivity: 57.7695 cm^3
• Polarizability: 22.680025 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.862

Product Information

• Purity: 95%