1-(pyrrolidine-1-carbonyl)piperidin-4-amine

• ChemBase ID: 309460
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: C(=O)(N1CCC(CC1)N)N1CCCC1
• Canonical SMILES: NC1CCN(CC1)C(=O)N1CCCC1
• InChI: InChI=1S/C10H19N3O/c11-9-3-7-13(8-4-9)10(14)12-5-1-2-6-12/h9H,1-8,11H2
• InChIKey: KOQNTUSATKDXGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidine-1-carbonyl)piperidin-4-amine
• IUPAC Traditional name: 1-(pyrrolidine-1-carbonyl)piperidin-4-amine
• Synonyms: 1-(1-pyrrolidinylcarbonyl)-4-piperidinamine

Database IDs

• CAS Number: 889849-93-8
• MDL Number: MFCD14702924

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8699796
• LogD (pH = 7.4): -3.3010113
• Log P: -0.8521543
• Molar Refractivity: 55.6522 cm^3
• Polarizability: 21.566858 Å^3
• Polar Surface Area: 49.57 Å^2