2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

C19H21F3N2O — CID 21292075

IUPAC2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CCNCC1c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)16-8-6-15(7-9-16)18(25)13-24-11-10-23-12-17(24)14-4-2-1-3-5-14/h1-9,17-18,23,25H,10-13H2
InChIKeyHVFDPWKIEYWZGI-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.39
Rot. Bonds4

About 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 21292075) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID21292075
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CCNCC1c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)16-8-6-15(7-9-16)18(25)13-24-11-10-23-12-17(24)14-4-2-1-3-5-14/h1-9,17-18,23,25H,10-13H2
InChIKeyHVFDPWKIEYWZGI-UHFFFAOYSA-N
XLogP3.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 21292075) is 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CN1CCNCC1c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is HVFDPWKIEYWZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)16-8-6-15(7-9-16)18(25)13-24-11-10-23-12-17(24)14-4-2-1-3-5-14/h1-9,17-18,23,25H,10-13H2.
What are the key properties of 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 350.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 21292075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).