tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate

C14H23F3N2O3 — CID 18752974

IUPACtert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate
SMILESCN(CC(F)(F)F)C(=O)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23F3N2O3/c1-13(2,3)22-12(21)19-8-6-5-7-10(19)11(20)18(4)9-14(15,16)17/h10H,5-9H2,1-4H3
InChIKeyXDIMJFHSSZPHLV-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.80
Rot. Bonds2

About tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 18752974) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate
PubChem CID18752974
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Nametert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate
SMILESCN(CC(F)(F)F)C(=O)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23F3N2O3/c1-13(2,3)22-12(21)19-8-6-5-7-10(19)11(20)18(4)9-14(15,16)17/h10H,5-9H2,1-4H3
InChIKeyXDIMJFHSSZPHLV-UHFFFAOYSA-N
XLogP2.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4,4-difluoro-2-formylpiperidine-1-carboxylate
CID 89782579
1-Piperidinecarboxylic acid, 2-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
CID 138989205
Tert-butyl 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 53558431
Tert-butyl 3-oxo-2-(trifluoromethyl)piperidine-1-carboxylate
CID 155970459
tert-Butyl 2-carbamoylpiperidine-1-carboxylate
CID 2756820
Tert-butyl 3-oxo-2-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 18456550
tert-butyl (2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate
CID 20610855
BOC-4,4-difluoroproline-N,N-dimethylamide
CID 25178383
tert-butyl (2S)-2-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 49069691
Tert-butyl 2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
CID 53887779
Tert-butyl 2-butyl-5-oxo-4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 56990549
Tert-butyl 2-butyl-5-oxo-4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
CID 57161909

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate (CID 18752974) is tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate is CN(CC(F)(F)F)C(=O)C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is XDIMJFHSSZPHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-13(2,3)22-12(21)19-8-6-5-7-10(19)11(20)18(4)9-14(15,16)17/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 18752974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).