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

• ChemBase ID: 812003
• Molecular Formular: C16H30N2O2
• Molecular Mass: 282.4216
• Monoisotopic Mass: 282.23072821
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)NC1CCCCC1
• Canonical SMILES: O=C(N1CCC(CC1)NC1CCCCC1)OC(C)(C)C
• InChI: InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13/h13-14,17H,4-12H2,1-3H3
• InChIKey: PBRXMHYPIOUDLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 206274-13-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7048896
• LogD (pH = 7.4): -0.47933117
• Log P: 2.5333433
• Molar Refractivity: 80.8591 cm^3
• Polarizability: 32.16681 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%