7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole

C15H21N3 — CID 84630954

IUPAC7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole
SMILESCCc1cccc2c(C3CN(C)CCN3)c[nH]c12
InChIInChI=1S/C15H21N3/c1-3-11-5-4-6-12-13(9-17-15(11)12)14-10-18(2)8-7-16-14/h4-6,9,14,16-17H,3,7-8,10H2,1-2H3
InChIKeyBISMWWSLDPZNSW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.31
Rot. Bonds2

About 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole

7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole (PubChem CID 84630954) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole.

Molecular Properties

Compound Name7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole
PubChem CID84630954
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole
SMILESCCc1cccc2c(C3CN(C)CCN3)c[nH]c12
InChIInChI=1S/C15H21N3/c1-3-11-5-4-6-12-13(9-17-15(11)12)14-10-18(2)8-7-16-14/h4-6,9,14,16-17H,3,7-8,10H2,1-2H3
InChIKeyBISMWWSLDPZNSW-UHFFFAOYSA-N
XLogP2.31
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-3-(7-ethyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 132837418
3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole
CID 168941514
7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
CID 84632846
5-ethoxy-3-(4-methylpiperazin-2-yl)-1H-indole
CID 84637851
2-(4-methylpiperazin-2-yl)phenol
CID 83445266
7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
CID 84630932
1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole
CID 82664533
1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
CID 55030032
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633706
7-ethyl-3-methyl-1H-indole
CID 13271010
[1-[(7-ethyl-1H-indol-3-yl)methyl]piperidin-3-yl]methanol
CID 110244912
3-(2,4-dimethoxy-3-methylphenyl)-1-methylpiperazine
CID 82297569

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole?
The IUPAC name of 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole (CID 84630954) is 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole.
What is the SMILES notation for 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole?
The canonical SMILES for 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole is CCc1cccc2c(C3CN(C)CCN3)c[nH]c12.
What is the InChIKey of 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole?
The InChIKey is BISMWWSLDPZNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-11-5-4-6-12-13(9-17-15(11)12)14-10-18(2)8-7-16-14/h4-6,9,14,16-17H,3,7-8,10H2,1-2H3.
What are the key properties of 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole?
7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole has a molecular weight of 243.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole is sourced from PubChem (CID 84630954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).