4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole

C21H24FN3 — CID 170158402

IUPAC4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole
SMILESCc1ccc(F)c2ccn(-c3cccc(CN4CCN(C)CC4)c3)c12
InChIInChI=1S/C21H24FN3/c1-16-6-7-20(22)19-8-9-25(21(16)19)18-5-3-4-17(14-18)15-24-12-10-23(2)11-13-24/h3-9,14H,10-13,15H2,1-2H3
InChIKeyHOAJTYWVURYZPG-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.83
Rot. Bonds3

About 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole

4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole (PubChem CID 170158402) has the molecular formula C21H24FN3 and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole.

Molecular Properties

Compound Name4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole
PubChem CID170158402
Molecular FormulaC21H24FN3
Molecular Weight337.44 g/mol
Exact Mass337.20
IUPAC Name4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole
SMILESCc1ccc(F)c2ccn(-c3cccc(CN4CCN(C)CC4)c3)c12
InChIInChI=1S/C21H24FN3/c1-16-6-7-20(22)19-8-9-25(21(16)19)18-5-3-4-17(14-18)15-24-12-10-23(2)11-13-24/h3-9,14H,10-13,15H2,1-2H3
InChIKeyHOAJTYWVURYZPG-UHFFFAOYSA-N
XLogP3.83
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole
CID 170158290
4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole
CID 170159037
3-[1-[3-(4-fluoro-7-methylindol-1-yl)phenyl]piperidin-4-yl]propan-1-amine
CID 170159411
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzimidazole-5-carbaldehyde
CID 89494067
methanidyl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium
CID 58832495
2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropan-1-amine
CID 134540419

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole?
The IUPAC name of 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole (CID 170158402) is 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole.
What is the SMILES notation for 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole?
The canonical SMILES for 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole is Cc1ccc(F)c2ccn(-c3cccc(CN4CCN(C)CC4)c3)c12.
What is the InChIKey of 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole?
The InChIKey is HOAJTYWVURYZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3/c1-16-6-7-20(22)19-8-9-25(21(16)19)18-5-3-4-17(14-18)15-24-12-10-23(2)11-13-24/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole?
4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole has a molecular weight of 337.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]indole is sourced from PubChem (CID 170158402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).