2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol

C19H29F3N4O — CID 3049825

IUPAC2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C19H29F3N4O/c20-19(21,22)17-2-1-3-18(16-17)26-12-10-24(11-13-26)5-4-23-6-8-25(9-7-23)14-15-27/h1-3,16,27H,4-15H2
InChIKeyAVGDUUNULFIEHM-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.44
Rot. Bonds6

About 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol

2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol (PubChem CID 3049825) has the molecular formula C19H29F3N4O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol
PubChem CID3049825
Molecular FormulaC19H29F3N4O
Molecular Weight386.46 g/mol
Exact Mass386.23
IUPAC Name2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C19H29F3N4O/c20-19(21,22)17-2-1-3-18(16-17)26-12-10-24(11-13-26)5-4-23-6-8-25(9-7-23)14-15-27/h1-3,16,27H,4-15H2
InChIKeyAVGDUUNULFIEHM-UHFFFAOYSA-N
XLogP1.44
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol (CID 3049825) is 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol is OCCN1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol?
The InChIKey is AVGDUUNULFIEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N4O/c20-19(21,22)17-2-1-3-18(16-17)26-12-10-24(11-13-26)5-4-23-6-8-25(9-7-23)14-15-27/h1-3,16,27H,4-15H2.
What are the key properties of 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol?
2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol has a molecular weight of 386.46 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 3049825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).