2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol

C13H17F3N2O — CID 56996351

IUPAC2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCC(c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-2-10(8-11)12(9-19)18-6-4-17-5-7-18/h1-3,8,12,17,19H,4-7,9H2
InChIKeyGTXKSAIGXIJDHG-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.64
Rot. Bonds3

About 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol

2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 56996351) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID56996351
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCC(c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-2-10(8-11)12(9-19)18-6-4-17-5-7-18/h1-3,8,12,17,19H,4-7,9H2
InChIKeyGTXKSAIGXIJDHG-UHFFFAOYSA-N
XLogP1.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol (CID 56996351) is 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol is OCC(c1cccc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is GTXKSAIGXIJDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-2-10(8-11)12(9-19)18-6-4-17-5-7-18/h1-3,8,12,17,19H,4-7,9H2.
What are the key properties of 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol?
2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 274.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 56996351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).