tert-butyl 4-(1-aminocyclopentanecarbonyl)piperazine-1-carboxylate

• ChemBase ID: 255988
• Molecular Formular: C15H27N3O3
• Molecular Mass: 297.39318
• Monoisotopic Mass: 297.20524174
• SMILES: C(=O)(N1CCN(C(=O)C2(N)CCCC2)CC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCN(CC1)C(=O)C1(N)CCCC1)OC(C)(C)C
• InChI: InChI=1S/C15H27N3O3/c1-14(2,3)21-13(20)18-10-8-17(9-11-18)12(19)15(16)6-4-5-7-15/h4-11,16H2,1-3H3
• InChIKey: NJUHNUMIDJQIPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(1-aminocyclopentanecarbonyl)piperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(1-aminocyclopentanecarbonyl)piperazine-1-carboxylate
• Synonyms: tert-butyl 4-[(1-aminocyclopentyl)carbonyl]piperazine-1-carboxylate

Database IDs

• MDL Number: MFCD10686701
• PubChem SID: 164311898
• PubChem CID: 25312519

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.002067
• LogD (pH = 7.4): -0.53142995
• Log P: 0.8230477
• Molar Refractivity: 79.8225 cm^3
• Polarizability: 31.562395 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.29

Product Information

• Purity: 95%