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

C12H21F3N2O2 — CID 22562166

IUPACtert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)16-9-4-6-17(7-5-9)8-12(13,14)15/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeyGZBNHUWODLVVSP-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.54
Rot. Bonds2

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

tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate (PubChem CID 22562166) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
PubChem CID22562166
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Nametert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)16-9-4-6-17(7-5-9)8-12(13,14)15/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeyGZBNHUWODLVVSP-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methanesulfinic acid
CID 174605400
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[1-(thiiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 86662008
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate
CID 69118169
tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate (CID 22562166) is tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate?
The InChIKey is GZBNHUWODLVVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)16-9-4-6-17(7-5-9)8-12(13,14)15/h9H,4-8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate has a molecular weight of 282.31 g/mol, XLogP of 2.54, 2 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]carbamate is sourced from PubChem (CID 22562166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).