4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C9H16F3N3O2 — CID 113230177

IUPAC4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7-13-8(17)15-3-1-14(2-4-15)5-6-16/h16H,1-7H2,(H,13,17)
InChIKeyMCHBZUSXTVDNSE-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.13
Rot. Bonds3

About 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 113230177) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID113230177
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7-13-8(17)15-3-1-14(2-4-15)5-6-16/h16H,1-7H2,(H,13,17)
InChIKeyMCHBZUSXTVDNSE-UHFFFAOYSA-N
XLogP-0.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 113230177) is 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is O=C(NCC(F)(F)F)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is MCHBZUSXTVDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c10-9(11,12)7-13-8(17)15-3-1-14(2-4-15)5-6-16/h16H,1-7H2,(H,13,17).
What are the key properties of 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 255.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113230177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).