tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate

C15H27F3N2O3 — CID 57494009

IUPACtert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
SMILESCOCCN(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(21)19-7-5-12(6-8-19)20(9-10-22-4)11-15(16,17)18/h12H,5-11H2,1-4H3
InChIKeyOXHVFKRUHVPSCD-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.90
Rot. Bonds5

About tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate

tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate (PubChem CID 57494009) has the molecular formula C15H27F3N2O3 and a molecular weight of 340.39 g/mol. Its IUPAC name is tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
PubChem CID57494009
Molecular FormulaC15H27F3N2O3
Molecular Weight340.39 g/mol
Exact Mass340.20
IUPAC Nametert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
SMILESCOCCN(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(21)19-7-5-12(6-8-19)20(9-10-22-4)11-15(16,17)18/h12H,5-11H2,1-4H3
InChIKeyOXHVFKRUHVPSCD-UHFFFAOYSA-N
XLogP2.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
Tert-butyl 4-[carbonofluoridoyl(trifluoromethyl)amino]piperidine-1-carboxylate
CID 176438493
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
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-acetyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494008
tert-Butyl 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylate
CID 59606191
tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate
CID 59854959
tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate
CID 59854963
tert-butyl (3R,4S)-4-(dimethylamino)-3-fluoropiperidine-1-carboxylate
CID 67241235
tert-butyl (3S,4R)-4-amino-3-(2,2-difluoropropoxy)piperidine-1-carboxylate
CID 68416637
Tert-butyl 4-amino-3-(2,2-difluoropropoxy)piperidine-1-carboxylate
CID 68416638
3-Fluoro-4-morpholin-4-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 68671388

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate (CID 57494009) is tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate is COCCN(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The InChIKey is OXHVFKRUHVPSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(21)19-7-5-12(6-8-19)20(9-10-22-4)11-15(16,17)18/h12H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate has a molecular weight of 340.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 57494009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).