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

C13H23F3N2O2 — CID 164896897

IUPACtert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2,3)20-10(19)17-12(4)5-7-18(8-6-12)9-13(14,15)16/h5-9H2,1-4H3,(H,17,19)
InChIKeyGCRMVENUUZVDPX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.93
Rot. Bonds2

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

tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate (PubChem CID 164896897) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
PubChem CID164896897
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2,3)20-10(19)17-12(4)5-7-18(8-6-12)9-13(14,15)16/h5-9H2,1-4H3,(H,17,19)
InChIKeyGCRMVENUUZVDPX-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
CID 135177659
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
CID 177032527
tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
lithium 4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 175973282
tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
CID 134435769
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate
CID 167723970
tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate
CID 169494715
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate (CID 164896897) is tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate is CC1(NC(=O)OC(C)(C)C)CCN(CC(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate?
The InChIKey is GCRMVENUUZVDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-11(2,3)20-10(19)17-12(4)5-7-18(8-6-12)9-13(14,15)16/h5-9H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate?
tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate has a molecular weight of 296.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 164896897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).