tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate

C13H23F3N2O2 — CID 71214295

IUPACtert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)20-11(19)17-8-10-4-6-18(7-5-10)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19)
InChIKeyFFDUITUPEHFOHN-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.79
Rot. Bonds3

About tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate (PubChem CID 71214295) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate
PubChem CID71214295
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)20-11(19)17-8-10-4-6-18(7-5-10)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19)
InChIKeyFFDUITUPEHFOHN-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate (CID 71214295) is tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate?
The InChIKey is FFDUITUPEHFOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-12(2,3)20-11(19)17-8-10-4-6-18(7-5-10)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate has a molecular weight of 296.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 71214295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).