5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole

C15H20FN3 — CID 82024005

IUPAC5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole
SMILESCc1[nH]c2ccc(F)cc2c1C(C)N1CCNCC1
InChIInChI=1S/C15H20FN3/c1-10-15(11(2)19-7-5-17-6-8-19)13-9-12(16)3-4-14(13)18-10/h3-4,9,11,17-18H,5-8H2,1-2H3
InChIKeyUYPQJTIMFXEXKC-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.58
Rot. Bonds2

About 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole

5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole (PubChem CID 82024005) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole
PubChem CID82024005
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole
SMILESCc1[nH]c2ccc(F)cc2c1C(C)N1CCNCC1
InChIInChI=1S/C15H20FN3/c1-10-15(11(2)19-7-5-17-6-8-19)13-9-12(16)3-4-14(13)18-10/h3-4,9,11,17-18H,5-8H2,1-2H3
InChIKeyUYPQJTIMFXEXKC-UHFFFAOYSA-N
XLogP2.58
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole
CID 82279021
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171288485
cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 82279350
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
1-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]piperazine
CID 171169947
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117109406
1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 93464451
1-[(1R)-1-(3-bromo-2,6-difluorophenyl)ethyl]piperazine
CID 171169983
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole?
The IUPAC name of 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole (CID 82024005) is 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole.
What is the SMILES notation for 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole?
The canonical SMILES for 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole is Cc1[nH]c2ccc(F)cc2c1C(C)N1CCNCC1.
What is the InChIKey of 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole?
The InChIKey is UYPQJTIMFXEXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10-15(11(2)19-7-5-17-6-8-19)13-9-12(16)3-4-14(13)18-10/h3-4,9,11,17-18H,5-8H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole?
5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole has a molecular weight of 261.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3-(1-piperazin-1-ylethyl)-1H-indole is sourced from PubChem (CID 82024005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).