1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol

C18H20F3N3O — CID 2809777

IUPAC1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)15-6-7-17(22-12-15)24-10-8-23(9-11-24)13-16(25)14-4-2-1-3-5-14/h1-7,12,16,25H,8-11,13H2
InChIKeyUJCVOFIEOFZKCC-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.96
Rot. Bonds4

About 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol

1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 2809777) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
PubChem CID2809777
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)15-6-7-17(22-12-15)24-10-8-23(9-11-24)13-16(25)14-4-2-1-3-5-14/h1-7,12,16,25H,8-11,13H2
InChIKeyUJCVOFIEOFZKCC-UHFFFAOYSA-N
XLogP2.96
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol (CID 2809777) is 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol is OC(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is UJCVOFIEOFZKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c19-18(20,21)15-6-7-17(22-12-15)24-10-8-23(9-11-24)13-16(25)14-4-2-1-3-5-14/h1-7,12,16,25H,8-11,13H2.
What are the key properties of 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 351.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2809777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).