2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone

C17H18F3N3O2 — CID 135128455

IUPAC2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(Cc2ccc3ccc(C(F)(F)F)cc3n2)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)13-3-1-12-2-4-14(21-15(12)9-13)10-22-5-7-23(8-6-22)16(25)11-24/h1-4,9,24H,5-8,10-11H2
InChIKeySTZXZRIVFRZYGY-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.89
Rot. Bonds3

About 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone

2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 135128455) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID135128455
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(Cc2ccc3ccc(C(F)(F)F)cc3n2)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)13-3-1-12-2-4-14(21-15(12)9-13)10-22-5-7-23(8-6-22)16(25)11-24/h1-4,9,24H,5-8,10-11H2
InChIKeySTZXZRIVFRZYGY-UHFFFAOYSA-N
XLogP1.89
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-3-yl]methyl]piperazin-1-yl]ethanone
CID 135128472
2-hydroxy-1-[4-[[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 135128497
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-fluoro-5-(trifluoromethyl)phenoxy]ethanone
CID 22264713
1-pyrrolidin-1-yl-2-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 24628228
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 17087722
2-[2-chloro-5-(trifluoromethyl)phenyl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 74228046
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 71780646
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[16-(quinolin-2-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 11535329
2-(methylamino)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120703341
4-amino-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-1-one
CID 119833281
1-[4-[(2-chloro-4-pyridinyl)methyl]piperazin-1-yl]-2-hydroxyethanone
CID 58285187

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone (CID 135128455) is 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone is O=C(CO)N1CCN(Cc2ccc3ccc(C(F)(F)F)cc3n2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is STZXZRIVFRZYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)13-3-1-12-2-4-14(21-15(12)9-13)10-22-5-7-23(8-6-22)16(25)11-24/h1-4,9,24H,5-8,10-11H2.
What are the key properties of 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone?
2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 353.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[7-(trifluoromethyl)quinolin-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135128455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).