2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate

C11H17F3N2O3 — CID 60705835

IUPAC2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate
SMILESCN(C)C(=O)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-15(2)9(17)8-3-5-16(6-4-8)10(18)19-7-11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyCCBJQWCHINQATD-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.49
Rot. Bonds2

About 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate

2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 60705835) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate
PubChem CID60705835
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate
SMILESCN(C)C(=O)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-15(2)9(17)8-3-5-16(6-4-8)10(18)19-7-11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyCCBJQWCHINQATD-UHFFFAOYSA-N
XLogP1.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-carbamoylpiperidine-1-carboxylate
CID 3242068
tert-Butyl 4-(trifluoroacetyl)piperidine-1-carboxylate
CID 49759203
Tert-butyl 3,3-difluoro-4-formylpiperidine-1-carboxylate
CID 122164321
Tert-butyl 4-formyl-4-(trifluoromethyl)piperidine-1-carboxylate
CID 132343730
2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate
CID 9115251
Butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylate
CID 601868
Tert-butyl 4-(2,2-difluoroacetyl)piperidine-1-carboxylate
CID 165622065
4-Piperidinecarboxylic acid, methyl ester, PFP
CID 588490
4-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217585
Tert-butyl 4-carbamoyl-4-(trifluoromethyl)piperidine-1-carboxylate
CID 17983183
N-methyl-N-(1-tert-butoxycarbonylpiperidin-4-ylmethyl)trifluoroacetamide
CID 21994204
Ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylate
CID 43423506

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate (CID 60705835) is 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate is CN(C)C(=O)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is CCBJQWCHINQATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-15(2)9(17)8-3-5-16(6-4-8)10(18)19-7-11(12,13)14/h8H,3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 282.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-(dimethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 60705835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).