3-amino-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

• ChemBase ID: 257434
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: C(=O)(N(C1CCN(CC1)C)C)CCN
• Canonical SMILES: NCCC(=O)N(C1CCN(CC1)C)C
• InChI: InChI=1S/C10H21N3O/c1-12-7-4-9(5-8-12)13(2)10(14)3-6-11/h9H,3-8,11H2,1-2H3
• InChIKey: VHDDBOJRMBYJGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
• IUPAC Traditional name: 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
• Synonyms: 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

Database IDs

• MDL Number: MFCD09736588
• PubChem SID: 164313344
• PubChem CID: 16789810

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.0982294
• LogD (pH = 7.4): -4.134934
• 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): -0.872

Product Information

• Purity: 95%