3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole

C22H25ClFN3O — CID 58303851

IUPAC3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole
SMILESCOc1c(F)ccc2c1c(CCN1CCN(c3cccc(Cl)c3)CC1)cn2C
InChIInChI=1S/C22H25ClFN3O/c1-25-15-16(21-20(25)7-6-19(24)22(21)28-2)8-9-26-10-12-27(13-11-26)18-5-3-4-17(23)14-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyNIFSRZMTHDXWIY-UHFFFAOYSA-N
MW401.91 g/mol
LogP4.34
Rot. Bonds5

About 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole (PubChem CID 58303851) has the molecular formula C22H25ClFN3O and a molecular weight of 401.91 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole
PubChem CID58303851
Molecular FormulaC22H25ClFN3O
Molecular Weight401.91 g/mol
Exact Mass401.17
IUPAC Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole
SMILESCOc1c(F)ccc2c1c(CCN1CCN(c3cccc(Cl)c3)CC1)cn2C
InChIInChI=1S/C22H25ClFN3O/c1-25-15-16(21-20(25)7-6-19(24)22(21)28-2)8-9-26-10-12-27(13-11-26)18-5-3-4-17(23)14-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyNIFSRZMTHDXWIY-UHFFFAOYSA-N
XLogP4.34
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-methoxy-1-methyl-3-[3-[3-(4-methylpiperazin-1-yl)phenyl]propyl]indole
CID 58303868
2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid
CID 58304033
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
[1-[(5-chloro-1-methylindol-3-yl)methyl]piperidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53013307
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 90477466
1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine
CID 70247094
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-(3-chlorophenyl)-4-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine
CID 10386085

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole?
The IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole (CID 58303851) is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole.
What is the SMILES notation for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole?
The canonical SMILES for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole is COc1c(F)ccc2c1c(CCN1CCN(c3cccc(Cl)c3)CC1)cn2C.
What is the InChIKey of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole?
The InChIKey is NIFSRZMTHDXWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O/c1-25-15-16(21-20(25)7-6-19(24)22(21)28-2)8-9-26-10-12-27(13-11-26)18-5-3-4-17(23)14-18/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole?
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole has a molecular weight of 401.91 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-fluoro-4-methoxy-1-methylindole is sourced from PubChem (CID 58303851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).