5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C23H26F3N3O2 — CID 90778566

IUPAC5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCCCN1CCN(c2ccc3c(O)n(Cc4ccc(OC(F)(F)F)cc4)cc3c2)CC1
InChIInChI=1S/C23H26F3N3O2/c1-2-9-27-10-12-28(13-11-27)19-5-8-21-18(14-19)16-29(22(21)30)15-17-3-6-20(7-4-17)31-23(24,25)26/h3-8,14,16,30H,2,9-13,15H2,1H3
InChIKeyJLFYEIBOBUMRQW-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.83
Rot. Bonds6

About 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90778566) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90778566
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCCCN1CCN(c2ccc3c(O)n(Cc4ccc(OC(F)(F)F)cc4)cc3c2)CC1
InChIInChI=1S/C23H26F3N3O2/c1-2-9-27-10-12-28(13-11-27)19-5-8-21-18(14-19)16-29(22(21)30)15-17-3-6-20(7-4-17)31-23(24,25)26/h3-8,14,16,30H,2,9-13,15H2,1H3
InChIKeyJLFYEIBOBUMRQW-UHFFFAOYSA-N
XLogP4.83
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol with MolForge

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Related Compounds

1-(4-4-(trifluoromethyl)phenoxy)phenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)methanol
CID 54766868
2-[1-[4-[4-(Trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol
CID 122197912
(1-(3-methoxybenzyl)-3-(6-methoxypyridin-3-yl)-5-(trifluoromethyl)-1H-indol-2-yl)methanol
CID 118953471
[3-(6-Methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-2-yl]methanol
CID 118714106
3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine
CID 11681742
1-Benzyl-5-(3,5-difluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061459
1-Benzyl-2-(3,5-difluorophenyl)-5-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061460
1-(4-Fluorophenyl)-2-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 155931289
1-Benzyl-4-[4-(trifluoromethoxy)phenyl]-1H-indole
CID 22032970
1-[(4-Methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine
CID 58149819
2-[(3,4-Dimethoxyphenyl)methyl]-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]isoindole
CID 67046338
2-[(3,4-Dimethoxyphenyl)methyl]-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]isoindole
CID 67047141

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90778566) is 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is CCCN1CCN(c2ccc3c(O)n(Cc4ccc(OC(F)(F)F)cc4)cc3c2)CC1.
What is the InChIKey of 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is JLFYEIBOBUMRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-2-9-27-10-12-28(13-11-27)19-5-8-21-18(14-19)16-29(22(21)30)15-17-3-6-20(7-4-17)31-23(24,25)26/h3-8,14,16,30H,2,9-13,15H2,1H3.
What are the key properties of 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 433.47 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90778566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).