tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate

• ChemBase ID: 285211
• Molecular Formular: C13H26N2O2
• Molecular Mass: 242.35774
• Monoisotopic Mass: 242.19942808
• SMILES: C(=O)(N(CC1CCNCC1)CC)OC(C)(C)C
• Canonical SMILES: CCN(C(=O)OC(C)(C)C)CC1CCNCC1
• InChI: InChI=1S/C13H26N2O2/c1-5-15(12(16)17-13(2,3)4)10-11-6-8-14-9-7-11/h11,14H,5-10H2,1-4H3
• InChIKey: QTKIXLPXKKSGGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11847971
• PubChem SID: 180670742
• PubChem CID: 19691413

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6697838
• LogD (pH = 7.4): -1.0021232
• Log P: 1.5514815
• Molar Refractivity: 69.4115 cm^3
• Polarizability: 27.371313 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.435

Product Information

• Purity: 95%