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

C9H15F3N2O3 — CID 79346575

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

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

2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate (PubChem CID 79346575) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
PubChem CID79346575
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
SMILESO=C(OCCO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)7-13-1-3-14(4-2-13)8(16)17-6-5-15/h15H,1-7H2
InChIKeyDYHAXOIXLMDNGU-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

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Related Compounds

2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 63373740
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
2-hydroxyethyl thiomorpholine-4-carboxylate
CID 79345320
2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate
CID 79345346
2-amino-3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 81088519
2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61260522
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
3-amino-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502681
2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 65173779
2-hydroxyethyl 4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 114490825
2-bromo-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 114327524
2-amino-5-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 81088625

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate (CID 79346575) is 2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate is O=C(OCCO)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
The InChIKey is DYHAXOIXLMDNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)7-13-1-3-14(4-2-13)8(16)17-6-5-15/h15H,1-7H2.
What are the key properties of 2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate?
2-hydroxyethyl 4-(2,2,2-trifluoroethyl)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-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate is sourced from PubChem (CID 79346575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).