6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole

C15H20FN3 — CID 144581327

IUPAC6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
SMILESCN1CCN(CCc2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C15H20FN3/c1-18-6-8-19(9-7-18)5-4-12-11-17-15-10-13(16)2-3-14(12)15/h2-3,10-11,17H,4-9H2,1H3
InChIKeyRGHRQWADPCWFPB-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.10
Rot. Bonds3

About 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole

6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole (PubChem CID 144581327) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
PubChem CID144581327
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
SMILESCN1CCN(CCc2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C15H20FN3/c1-18-6-8-19(9-7-18)5-4-12-11-17-15-10-13(16)2-3-14(12)15/h2-3,10-11,17H,4-9H2,1H3
InChIKeyRGHRQWADPCWFPB-UHFFFAOYSA-N
XLogP2.10
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
[3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-6-yl]methanesulfinic acid
CID 174633435
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine;hydroiodide
CID 111888114
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole
CID 22462300
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111889137
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111888842
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111888512
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
6-fluoro-3-(3-methoxypropyl)-1H-indole
CID 91114487

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole (CID 144581327) is 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole is CN1CCN(CCc2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole?
The InChIKey is RGHRQWADPCWFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-18-6-8-19(9-7-18)5-4-12-11-17-15-10-13(16)2-3-14(12)15/h2-3,10-11,17H,4-9H2,1H3.
What are the key properties of 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole?
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole has a molecular weight of 261.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 144581327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).