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

C15H20FN3 — CID 117175000

IUPAC5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2cn(C)c3ccc(F)cc23)CC1
InChIInChI=1S/C15H20FN3/c1-17-5-7-19(8-6-17)11-12-10-18(2)15-4-3-13(16)9-14(12)15/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyZJSVQSBOBBLDDE-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.06
Rot. Bonds2

About 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole

5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole (PubChem CID 117175000) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
PubChem CID117175000
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2cn(C)c3ccc(F)cc23)CC1
InChIInChI=1S/C15H20FN3/c1-17-5-7-19(8-6-17)11-12-10-18(2)15-4-3-13(16)9-14(12)15/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyZJSVQSBOBBLDDE-UHFFFAOYSA-N
XLogP2.06
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
CID 117174212
1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine
CID 117174687
4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]benzenethiol
CID 91656917
1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one
CID 84638554
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626
1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol
CID 117121023
5-fluoro-1-octyl-3-(pyrrolidin-1-ylmethyl)indole
CID 50916342
5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole
CID 50916158
1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117174991
[8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 176970605

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
The IUPAC name of 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole (CID 117175000) is 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole is CN1CCN(Cc2cn(C)c3ccc(F)cc23)CC1.
What is the InChIKey of 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
The InChIKey is ZJSVQSBOBBLDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-17-5-7-19(8-6-17)11-12-10-18(2)15-4-3-13(16)9-14(12)15/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole has a molecular weight of 261.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 117175000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).