tert-butyl 4-(cyclopentylamino)piperidine-1-carboxylate

• ChemBase ID: 812004
• Molecular Formular: C15H28N2O2
• Molecular Mass: 268.39502
• Monoisotopic Mass: 268.21507815
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)NC1CCCC1
• Canonical SMILES: O=C(N1CCC(CC1)NC1CCCC1)OC(C)(C)C
• InChI: InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-8-13(9-11-17)16-12-6-4-5-7-12/h12-13,16H,4-11H2,1-3H3
• InChIKey: NNZQFZSKWUWNIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(cyclopentylamino)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(cyclopentylamino)piperidine-1-carboxylate
• Synonyms: 1-BOC-4-CYCLOPENTYLAMINO-PIPERIDINE

Database IDs

• CAS Number: 812690-40-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1487978
• LogD (pH = 7.4): -0.89376235
• Log P: 2.0887747
• Molar Refractivity: 76.2581 cm^3
• Polarizability: 30.32565 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%