tert-butyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate

• ChemBase ID: 306765
• Molecular Formular: C15H29N3O2
• Molecular Mass: 283.40966
• Monoisotopic Mass: 283.22597718
• SMILES: C(=O)(N1CCC(N2CCC(CC2)N)CC1)OC(C)(C)C
• Canonical SMILES: NC1CCN(CC1)C1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-10-6-13(7-11-18)17-8-4-12(16)5-9-17/h12-13H,4-11,16H2,1-3H3
• InChIKey: AHAQZBVUGZUUMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate
• Synonyms: tert-butyl 4-amino-1,4'-bipiperidine-1'-carboxylate

Database IDs

• CAS Number: 959237-16-2
• MDL Number: MFCD09864242

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.299032
• LogD (pH = 7.4): -3.2169213
• Log P: 0.3282985
• Molar Refractivity: 80.5214 cm^3
• Polarizability: 31.853346 Å^3
• Polar Surface Area: 58.8 Å^2