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

• ChemBase ID: 15770
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: C1C(CCNC1)CN(C(=O)OC(C)(C)C)C
• Canonical SMILES: CN(C(=O)OC(C)(C)C)CC1CCNCC1
• InChI: InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)9-10-5-7-13-8-6-10/h10,13H,5-9H2,1-4H3
• InChIKey: ZREUHPKGCXOWCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
• IUPAC Traditional name: tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
• Synonyms: tert-Butyl methyl(piperidin-4-ylmethyl)-carbamate; tert-butyl methyl(4-piperidinylmethyl)carbamate; tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate; tert-Butyl methyl(piperidin-4-ylmethyl)carbamate

Database IDs

• CAS Number: 138022-04-5
• MDL Number: MFCD06800387
• PubChem SID: 160979077
• PubChem CID: 23004743

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0265918
• LogD (pH = 7.4): -1.3589313
• Log P: 1.1946735
• Molar Refractivity: 64.6629 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.906

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%