1-methyl-7-(2-piperazin-1-ylethyl)indole

C15H21N3 — CID 117360826

IUPAC1-methyl-7-(2-piperazin-1-ylethyl)indole
SMILESCn1ccc2cccc(CCN3CCNCC3)c21
InChIInChI=1S/C15H21N3/c1-17-9-5-13-3-2-4-14(15(13)17)6-10-18-11-7-16-8-12-18/h2-5,9,16H,6-8,10-12H2,1H3
InChIKeyWUGCHDQCRNKJFL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.63
Rot. Bonds3

About 1-methyl-7-(2-piperazin-1-ylethyl)indole

1-methyl-7-(2-piperazin-1-ylethyl)indole (PubChem CID 117360826) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methyl-7-(2-piperazin-1-ylethyl)indole.

Molecular Properties

Compound Name1-methyl-7-(2-piperazin-1-ylethyl)indole
PubChem CID117360826
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-methyl-7-(2-piperazin-1-ylethyl)indole
SMILESCn1ccc2cccc(CCN3CCNCC3)c21
InChIInChI=1S/C15H21N3/c1-17-9-5-13-3-2-4-14(15(13)17)6-10-18-11-7-16-8-12-18/h2-5,9,16H,6-8,10-12H2,1H3
InChIKeyWUGCHDQCRNKJFL-UHFFFAOYSA-N
XLogP1.63
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole
CID 117445345
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-methyl-7-(pyrrolidin-2-ylmethyl)indole
CID 82613446
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-methyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83947755
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
CID 117493145
N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
CID 117408812
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117466506
1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
CID 117429080

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(2-piperazin-1-ylethyl)indole?
The IUPAC name of 1-methyl-7-(2-piperazin-1-ylethyl)indole (CID 117360826) is 1-methyl-7-(2-piperazin-1-ylethyl)indole.
What is the SMILES notation for 1-methyl-7-(2-piperazin-1-ylethyl)indole?
The canonical SMILES for 1-methyl-7-(2-piperazin-1-ylethyl)indole is Cn1ccc2cccc(CCN3CCNCC3)c21.
What is the InChIKey of 1-methyl-7-(2-piperazin-1-ylethyl)indole?
The InChIKey is WUGCHDQCRNKJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17-9-5-13-3-2-4-14(15(13)17)6-10-18-11-7-16-8-12-18/h2-5,9,16H,6-8,10-12H2,1H3.
What are the key properties of 1-methyl-7-(2-piperazin-1-ylethyl)indole?
1-methyl-7-(2-piperazin-1-ylethyl)indole has a molecular weight of 243.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(2-piperazin-1-ylethyl)indole is sourced from PubChem (CID 117360826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).