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

• ChemBase ID: 14665
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(C(=O)C(C)N)CCCCC1
• Canonical SMILES: CC(C(=O)N1CCCCC1)N
• InChI: InChI=1S/C8H16N2O/c1-7(9)8(11)10-5-3-2-4-6-10/h7H,2-6,9H2,1H3
• InChIKey: WHBVSWNJAJECCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(piperidin-1-yl)propan-1-one
• IUPAC Traditional name: 2-amino-1-(piperidin-1-yl)propan-1-one
• Synonyms: (1-methyl-2-oxo-2-piperidin-1-ylethyl)amine; 2-amino-1-(piperidin-1-yl)propan-1-one; 2-Amino-1-piperidin-1-yl-propan-1-one

Database IDs

• CAS Number: 805974-19-0
• MDL Number: MFCD01474845
• PubChem SID: 160977972
• PubChem CID: 3152952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7380726
• LogD (pH = 7.4): -1.1085067
• Log P: -0.087935664
• Molar Refractivity: 44.2549 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.048

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%