2-(4-aminopiperidin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

• ChemBase ID: 265044
• Molecular Formular: C11H21N3O
• Molecular Mass: 211.30394
• Monoisotopic Mass: 211.16846231
• SMILES: C(=O)(N1CCCC1)CN1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC(=O)N1CCCC1
• InChI: InChI=1S/C11H21N3O/c12-10-3-7-13(8-4-10)9-11(15)14-5-1-2-6-14/h10H,1-9,12H2
• InChIKey: FSDCCFFIOYIWNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)-1-(pyrrolidin-1-yl)ethanone
• Synonyms: 2-(4-aminopiperidin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

Database IDs

• MDL Number: MFCD09049726
• PubChem SID: 164320954
• PubChem CID: 16777276

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.374039
• LogD (pH = 7.4): -3.8686225
• Log P: -1.0744624
• Molar Refractivity: 60.6111 cm^3
• Polarizability: 23.793373 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.667

Product Information

• Purity: 95%