tert-butyl N-butyl-N-(piperidin-4-yl)carbamate

• ChemBase ID: 282415
• Molecular Formular: C14H28N2O2
• Molecular Mass: 256.38432
• Monoisotopic Mass: 256.21507815
• SMILES: C(=O)(N(C1CCNCC1)CCCC)OC(C)(C)C
• Canonical SMILES: CCCCN(C(=O)OC(C)(C)C)C1CCNCC1
• InChI: InChI=1S/C14H28N2O2/c1-5-6-11-16(12-7-9-15-10-8-12)13(17)18-14(2,3)4/h12,15H,5-11H2,1-4H3
• InChIKey: BSZRPYGJFXXPBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-butyl-N-(piperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-butyl-N-(piperidin-4-yl)carbamate
• Synonyms: tert-butyl N-butyl-N-(piperidin-4-yl)carbamate

Database IDs

• MDL Number: MFCD07774219
• PubChem SID: 180667946
• PubChem CID: 21748915

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1621872
• LogD (pH = 7.4): -0.47720063
• Log P: 2.0579717
• Molar Refractivity: 73.7185 cm^3
• Polarizability: 29.212204 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.874

Product Information

• Purity: 95%