1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one

C23H27F3N2O2 — CID 10971846

IUPAC1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
SMILESO=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1O
InChIInChI=1S/C23H27F3N2O2/c24-23(25,26)18-7-6-8-19(17-18)28-15-13-27(14-16-28)12-5-1-2-10-21(29)20-9-3-4-11-22(20)30/h3-4,6-9,11,17,30H,1-2,5,10,12-16H2
InChIKeyDCUQGGIBGKLOAM-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.98
Rot. Bonds8

About 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one

1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one (PubChem CID 10971846) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
PubChem CID10971846
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
SMILESO=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1O
InChIInChI=1S/C23H27F3N2O2/c24-23(25,26)18-7-6-8-19(17-18)28-15-13-27(14-16-28)12-5-1-2-10-21(29)20-9-3-4-11-22(20)30/h3-4,6-9,11,17,30H,1-2,5,10,12-16H2
InChIKeyDCUQGGIBGKLOAM-UHFFFAOYSA-N
XLogP4.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide
CID 68519
3-(4-(Dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 5331296
1-(2,4-Dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 7162002
1-(2,4-Dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 7162004
2-Methoxyphenyl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone
CID 1001404
2-Hydroxy-5-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 20287121
Benzamide, 5-butyl-2-hydroxy-N-(3-(trifluoromethyl)phenyl)-
CID 3060975
[4-(4-Fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289
1-(2-Hydroxy-phenyl)-6-[4-(2-methoxy-phenyl)-piperazin-1-yl]-hexan-1-one
CID 10948963
1-(2-Hydroxy-phenyl)-5-[4-(2-methoxy-phenyl)-piperazin-1-yl]-pentan-1-one
CID 11025015
1-(2-Hydroxy-phenyl)-6-(4-phenyl-piperazin-1-yl)-hexan-1-one
CID 11142729
1-(4-Hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 155537441

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one (CID 10971846) is 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one is O=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one?
The InChIKey is DCUQGGIBGKLOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c24-23(25,26)18-7-6-8-19(17-18)28-15-13-27(14-16-28)12-5-1-2-10-21(29)20-9-3-4-11-22(20)30/h3-4,6-9,11,17,30H,1-2,5,10,12-16H2.
What are the key properties of 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one?
1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one has a molecular weight of 420.48 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 10971846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).