2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol

C16H18F3N3O — CID 2823494

IUPAC2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)15-11-14(12-3-1-2-4-13(12)20-15)22-7-5-21(6-8-22)9-10-23/h1-4,11,23H,5-10H2
InChIKeyFEZXFBBKVKXGCH-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.37
Rot. Bonds3

About 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol

2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol (PubChem CID 2823494) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol
PubChem CID2823494
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)15-11-14(12-3-1-2-4-13(12)20-15)22-7-5-21(6-8-22)9-10-23/h1-4,11,23H,5-10H2
InChIKeyFEZXFBBKVKXGCH-UHFFFAOYSA-N
XLogP2.37
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol (CID 2823494) is 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is FEZXFBBKVKXGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)15-11-14(12-3-1-2-4-13(12)20-15)22-7-5-21(6-8-22)9-10-23/h1-4,11,23H,5-10H2.
What are the key properties of 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol?
2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 325.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2823494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).