6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole

C24H30FN3O — CID 54107923

IUPAC6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole
SMILESCOc1ccccc1N1CCN(CCCc2c(C)n(C)c3cc(F)ccc23)CC1
InChIInChI=1S/C24H30FN3O/c1-18-20(21-11-10-19(25)17-23(21)26(18)2)7-6-12-27-13-15-28(16-14-27)22-8-4-5-9-24(22)29-3/h4-5,8-11,17H,6-7,12-16H2,1-3H3
InChIKeyNFBMHFXIGRCTFG-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.39
Rot. Bonds6

About 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole

6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole (PubChem CID 54107923) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole.

Molecular Properties

Compound Name6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole
PubChem CID54107923
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole
SMILESCOc1ccccc1N1CCN(CCCc2c(C)n(C)c3cc(F)ccc23)CC1
InChIInChI=1S/C24H30FN3O/c1-18-20(21-11-10-19(25)17-23(21)26(18)2)7-6-12-27-13-15-28(16-14-27)22-8-4-5-9-24(22)29-3/h4-5,8-11,17H,6-7,12-16H2,1-3H3
InChIKeyNFBMHFXIGRCTFG-UHFFFAOYSA-N
XLogP4.39
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-2-(2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenoxy)ethanamine
CID 26377
SK&F 96079
CID 196776
2-{4-[3-Fluoro-2-(2-Methoxyphenyl)-1h-Indol-5-Yl] Piperidin-1-Yl}-N-Methylethanamine
CID 46867603
3-{[4-(2-ethoxyphenyl)-1-piperazinyl]methyl}-1H-indole
CID 3504099
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11464427
1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 13900359
1-(2-Methoxy-phenyl)-4-(5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 14198545
(1R,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410553
(1R,3R)-1-[2,6-difluoro-4-[2-(3-methylazetidin-1-yl)ethoxy]phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410572
(1R,3R)-1-[2,6-difluoro-4-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410842
(1R,3R)-1-[2,6-difluoro-4-[1-(2-fluoroethyl)azetidin-3-yl]oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410877
(1R,3R)-1-[2,6-difluoro-4-(1-prop-2-enylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121411000

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole?
The IUPAC name of 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole (CID 54107923) is 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole.
What is the SMILES notation for 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole?
The canonical SMILES for 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole is COc1ccccc1N1CCN(CCCc2c(C)n(C)c3cc(F)ccc23)CC1.
What is the InChIKey of 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole?
The InChIKey is NFBMHFXIGRCTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-18-20(21-11-10-19(25)17-23(21)26(18)2)7-6-12-27-13-15-28(16-14-27)22-8-4-5-9-24(22)29-3/h4-5,8-11,17H,6-7,12-16H2,1-3H3.
What are the key properties of 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole?
6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole has a molecular weight of 395.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethylindole is sourced from PubChem (CID 54107923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).