tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate

C11H19F3N2O2 — CID 53414531

IUPACtert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCNCC1C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-5-15-6-7(8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyPIARTJWWYHJFTF-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.05
Rot. Bonds1

About tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate

tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate (PubChem CID 53414531) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate
PubChem CID53414531
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nametert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCNCC1C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-5-15-6-7(8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyPIARTJWWYHJFTF-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate (CID 53414531) is tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCNCC1C(F)(F)F.
What is the InChIKey of tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate?
The InChIKey is PIARTJWWYHJFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-5-15-6-7(8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate?
tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate has a molecular weight of 268.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(trifluoromethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 53414531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).