[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C12H20F3N3O2 — CID 63708237

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCN(CCO)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)11(1-2-16-9-11)10(20)18-5-3-17(4-6-18)7-8-19/h16,19H,1-9H2
InChIKeyYIFGXTJOAZSDKT-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.34
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63708237) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63708237
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCN(CCO)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)11(1-2-16-9-11)10(20)18-5-3-17(4-6-18)7-8-19/h16,19H,1-9H2
InChIKeyYIFGXTJOAZSDKT-UHFFFAOYSA-N
XLogP-0.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63708237) is [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CCN(CCO)CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is YIFGXTJOAZSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c13-12(14,15)11(1-2-16-9-11)10(20)18-5-3-17(4-6-18)7-8-19/h16,19H,1-9H2.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 295.31 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63708237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).