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

C12H21F3N2O2 — CID 61067497

IUPAC2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate
SMILESCCN(CC)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-16(4-2)10-5-7-17(8-6-10)11(18)19-9-12(13,14)15/h10H,3-9H2,1-2H3
InChIKeyOIIFXGNJTADNOA-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.49
Rot. Bonds4

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

2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate (PubChem CID 61067497) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate
PubChem CID61067497
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate
SMILESCCN(CC)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-16(4-2)10-5-7-17(8-6-10)11(18)19-9-12(13,14)15/h10H,3-9H2,1-2H3
InChIKeyOIIFXGNJTADNOA-UHFFFAOYSA-N
XLogP2.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylamino)butyl piperidine-1-carboxylate
CID 44589438
Methyl 4-(dimethylamino)piperidine-1-carboxylate
CID 20770676
2,2,2-Trifluoroethyl piperidine-1-carboxylate
CID 47002744
Tert-butyl 4-[carbonofluoridoyl(trifluoromethyl)amino]piperidine-1-carboxylate
CID 176438493
Ethyl 2-methylpiperidine-1-carboxylate
CID 251479
Ethyl 4-isocyanopiperidine-1-carboxylate
CID 55255300
2,2,2-trifluoroethyl N-cyclohexyl-N-methylcarbamate
CID 60705901
2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate
CID 164640975
2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate
CID 164642448
Ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 62491090
tert-Butyl 4,4-difluoro-[1,4'-bipiperidine]-1'-carboxylate
CID 53419022
Tert-butyl 4-(3,3-difluoropyrrolidin-1-YL)piperidine-1-carboxylate
CID 53419023

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate (CID 61067497) is 2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate is CCN(CC)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate?
The InChIKey is OIIFXGNJTADNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-16(4-2)10-5-7-17(8-6-10)11(18)19-9-12(13,14)15/h10H,3-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-(diethylamino)piperidine-1-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 2.49, 4 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-(diethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 61067497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).