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

C15H20ClN3 — CID 117445345

IUPAC3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole
SMILESCn1cc(Cl)c2cccc(CCN3CCNCC3)c21
InChIInChI=1S/C15H20ClN3/c1-18-11-14(16)13-4-2-3-12(15(13)18)5-8-19-9-6-17-7-10-19/h2-4,11,17H,5-10H2,1H3
InChIKeyBJRKJKDMXUNFDV-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.28
Rot. Bonds3

About 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole

3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole (PubChem CID 117445345) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole.

Molecular Properties

Compound Name3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole
PubChem CID117445345
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole
SMILESCn1cc(Cl)c2cccc(CCN3CCNCC3)c21
InChIInChI=1S/C15H20ClN3/c1-18-11-14(16)13-4-2-3-12(15(13)18)5-8-19-9-6-17-7-10-19/h2-4,11,17H,5-10H2,1H3
InChIKeyBJRKJKDMXUNFDV-UHFFFAOYSA-N
XLogP2.28
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83947755
1-methyl-7-(2-piperazin-1-ylethyl)indole
CID 117360826
1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117466506
3-(3-chloro-1-methylindol-7-yl)propan-1-ol
CID 117321059
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 95432844
3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
CID 117493145
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1,6-dimethyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83948015
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203
1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117465754

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole?
The IUPAC name of 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole (CID 117445345) is 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole.
What is the SMILES notation for 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole?
The canonical SMILES for 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole is Cn1cc(Cl)c2cccc(CCN3CCNCC3)c21.
What is the InChIKey of 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole?
The InChIKey is BJRKJKDMXUNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-18-11-14(16)13-4-2-3-12(15(13)18)5-8-19-9-6-17-7-10-19/h2-4,11,17H,5-10H2,1H3.
What are the key properties of 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole?
3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole has a molecular weight of 277.80 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole is sourced from PubChem (CID 117445345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).