2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate

C11H19F3N2O3 — CID 65173882

IUPAC2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(CCO)C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O3/c1-15-4-2-9(3-5-15)16(6-7-17)10(18)19-8-11(12,13)14/h9,17H,2-8H2,1H3
InChIKeyXLPNYJBPHGQSSJ-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.07
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate

2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 65173882) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate
PubChem CID65173882
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(CCO)C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O3/c1-15-4-2-9(3-5-15)16(6-7-17)10(18)19-8-11(12,13)14/h9,17H,2-8H2,1H3
InChIKeyXLPNYJBPHGQSSJ-UHFFFAOYSA-N
XLogP1.07
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
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-[(3S,4R)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamic acid
CID 68610640
4-[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 69372383
4-[2-Methoxyethyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 87801073
4-[Methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 126511698
4-[2-Methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 126511754
4-[Ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 126521918
2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 126549513
methyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 126549524
tert-butyl (2S)-2-[[2-hydroxyethyl-(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 167019395
Butyl 4-(dimethylamino)-3,3-difluoropiperidine-1-carboxylate
CID 175809109
2,2,2-trifluoroethyl N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamate
CID 60859205

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate (CID 65173882) is 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(N(CCO)C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is XLPNYJBPHGQSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-15-4-2-9(3-5-15)16(6-7-17)10(18)19-8-11(12,13)14/h9,17H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate?
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 284.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 65173882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).