tert-butyl N-[3-(piperidin-4-yloxy)propyl]carbamate

• ChemBase ID: 286595
• Molecular Formular: C13H26N2O3
• Molecular Mass: 258.35714
• Monoisotopic Mass: 258.1943427
• SMILES: C(=O)(OC(C)(C)C)NCCCOC1CCNCC1
• Canonical SMILES: O=C(OC(C)(C)C)NCCCOC1CCNCC1
• InChI: InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-7-4-10-17-11-5-8-14-9-6-11/h11,14H,4-10H2,1-3H3,(H,15,16)
• InChIKey: DZQUGCQCUZQUBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[3-(piperidin-4-yloxy)propyl]carbamate
• IUPAC Traditional name: tert-butyl N-[3-(piperidin-4-yloxy)propyl]carbamate
• Synonyms: tert-butyl N-[3-(piperidin-4-yloxy)propyl]carbamate

Database IDs

• MDL Number: MFCD22056502
• PubChem SID: 180672126
• PubChem CID: 72108010

CALCULATED PROPERTIES

• Acid pKa: 15.851578
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.696554
• LogD (pH = 7.4): -2.008148
• Log P: 0.52338094
• Molar Refractivity: 70.8571 cm^3
• Polarizability: 28.076847 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.06

Product Information

• Purity: 95%