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

• ChemBase ID: 812001
• Molecular Formular: C18H34N2O2
• Molecular Mass: 310.47476
• Monoisotopic Mass: 310.26202834
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)NC1CCCCCCC1
• Canonical SMILES: O=C(N1CCC(CC1)NC1CCCCCCC1)OC(C)(C)C
• InChI: InChI=1S/C18H34N2O2/c1-18(2,3)22-17(21)20-13-11-16(12-14-20)19-15-9-7-5-4-6-8-10-15/h15-16,19H,4-14H2,1-3H3
• InChIKey: SAIBMNAATRKEJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.18363366
• LogD (pH = 7.4): 0.37981883
• Log P: 3.4224806
• Molar Refractivity: 90.0611 cm^3
• Polarizability: 35.850773 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%