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

C15H25F3N2O4 — CID 57494008

IUPACtert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
SMILESCOCCN(C(=O)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25F3N2O4/c1-14(2,3)24-13(22)19-7-5-11(6-8-19)20(9-10-23-4)12(21)15(16,17)18/h11H,5-10H2,1-4H3
InChIKeyOBAXUDCGZMUDCX-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.42
Rot. Bonds4

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

tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate (PubChem CID 57494008) has the molecular formula C15H25F3N2O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
PubChem CID57494008
Molecular FormulaC15H25F3N2O4
Molecular Weight354.37 g/mol
Exact Mass354.18
IUPAC Nametert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
SMILESCOCCN(C(=O)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25F3N2O4/c1-14(2,3)24-13(22)19-7-5-11(6-8-19)20(9-10-23-4)12(21)15(16,17)18/h11H,5-10H2,1-4H3
InChIKeyOBAXUDCGZMUDCX-UHFFFAOYSA-N
XLogP2.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494009
Tert-butyl (2-propyn-1-yl)(1-(trifluoroacetyl)piperidin-4-yl)carbamate
CID 57815383
3-Fluoro-4-morpholin-4-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 68671388
4-[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 69372383
tert-butyl 6-(trifluoroacetyl)octahydro-1H-pyrido[3,4-b][1,4]oxazine-1-carboxylate
CID 86724484
Tert-butyl 3-[methyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 87125461
Tert-butyl 4-[methyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 87386539
4-[2-Methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 87801073
Tert-butyl 1-(2,2,2-trifluoroacetyl)-4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 88544966
4-[Cyclopropyl-(2,2,2-trifluoro-acetyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 89995645
trans-tert-butyl 6-(trifluoroacetyl)octahydro-1H-pyrido[3,4-b][1,4]oxazine-1-carboxylate
CID 90236069
tert-butyl (4aS,8aS)-6-(2,2,2-trifluoroacetyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine-1-carboxylate
CID 121288194

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate (CID 57494008) is tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate is COCCN(C(=O)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate?
The InChIKey is OBAXUDCGZMUDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O4/c1-14(2,3)24-13(22)19-7-5-11(6-8-19)20(9-10-23-4)12(21)15(16,17)18/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate has a molecular weight of 354.37 g/mol, XLogP of 2.42, 4 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-trifluoroacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 57494008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).