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

C12H21F3N2O3 — CID 126549513

IUPAC2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOCCOC(=O)N(CC(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C12H21F3N2O3/c1-16-5-3-10(4-6-16)17(9-12(13,14)15)11(18)20-8-7-19-2/h10H,3-9H2,1-2H3
InChIKeyUFZVCEBBRLRPDA-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.73
Rot. Bonds5

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

2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 126549513) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID126549513
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOCCOC(=O)N(CC(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C12H21F3N2O3/c1-16-5-3-10(4-6-16)17(9-12(13,14)15)11(18)20-8-7-19-2/h10H,3-9H2,1-2H3
InChIKeyUFZVCEBBRLRPDA-UHFFFAOYSA-N
XLogP1.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate (CID 126549513) is 2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate is COCCOC(=O)N(CC(F)(F)F)C1CCN(C)CC1.
What is the InChIKey of 2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is UFZVCEBBRLRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-16-5-3-10(4-6-16)17(9-12(13,14)15)11(18)20-8-7-19-2/h10H,3-9H2,1-2H3.
What are the key properties of 2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate?
2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 298.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 126549513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).