1-(4-aminopiperidin-1-yl)propan-1-one

• ChemBase ID: 34258
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(C(=O)CC)CCC(CC1)N
• Canonical SMILES: CCC(=O)N1CCC(CC1)N
• InChI: InChI=1S/C8H16N2O/c1-2-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
• InChIKey: ARECLULLLYMJKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminopiperidin-1-yl)propan-1-one
• IUPAC Traditional name: 1-(4-aminopiperidin-1-yl)propan-1-one
• Synonyms: 1-Propionylpiperidin-4-amine; 1-propionyl-4-piperidinamine

Database IDs

• CAS Number: 577778-40-6
• MDL Number: MFCD08271980
• PubChem SID: 160997565
• PubChem CID: 16777615

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6890495
• LogD (pH = 7.4): -3.1201158
• Log P: -0.67122257
• Molar Refractivity: 44.268 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false