2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

C9H15F3N2O3 — CID 63373740

IUPAC2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)7-17-8(16)14-3-1-13(2-4-14)5-6-15/h15H,1-7H2
InChIKeyWUHHNPYCLYRGHO-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.30
Rot. Bonds3

About 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 63373740) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
PubChem CID63373740
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)7-17-8(16)14-3-1-13(2-4-14)5-6-15/h15H,1-7H2
InChIKeyWUHHNPYCLYRGHO-UHFFFAOYSA-N
XLogP0.30
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride
CID 70625672
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 65173779
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
2,2,2-trifluoroethyl 4-acetyl-1,4-diazepane-1-carboxylate
CID 65173403
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
CID 79346575
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 43393114
2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate
CID 64687567
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261520
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]acetic acid
CID 79609155

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate (CID 63373740) is 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate is O=C(OCC(F)(F)F)N1CCN(CCO)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is WUHHNPYCLYRGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)7-17-8(16)14-3-1-13(2-4-14)5-6-15/h15H,1-7H2.
What are the key properties of 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate?
2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 256.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 63373740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).