7-chloro-2-methyl-3-piperazin-1-yl-1H-indole

C13H16ClN3 — CID 82279937

IUPAC7-chloro-2-methyl-3-piperazin-1-yl-1H-indole
SMILESCc1[nH]c2c(Cl)cccc2c1N1CCNCC1
InChIInChI=1S/C13H16ClN3/c1-9-13(17-7-5-15-6-8-17)10-3-2-4-11(14)12(10)16-9/h2-4,15-16H,5-8H2,1H3
InChIKeyUADRTJMUISNABD-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.54
Rot. Bonds1

About 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole

7-chloro-2-methyl-3-piperazin-1-yl-1H-indole (PubChem CID 82279937) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name7-chloro-2-methyl-3-piperazin-1-yl-1H-indole
PubChem CID82279937
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name7-chloro-2-methyl-3-piperazin-1-yl-1H-indole
SMILESCc1[nH]c2c(Cl)cccc2c1N1CCNCC1
InChIInChI=1S/C13H16ClN3/c1-9-13(17-7-5-15-6-8-17)10-3-2-4-11(14)12(10)16-9/h2-4,15-16H,5-8H2,1H3
InChIKeyUADRTJMUISNABD-UHFFFAOYSA-N
XLogP2.54
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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8-chloro-3-methyl-2-piperazin-1-ylquinoline
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7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
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CID 3018683

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole?
The IUPAC name of 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole (CID 82279937) is 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole.
What is the SMILES notation for 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole?
The canonical SMILES for 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole is Cc1[nH]c2c(Cl)cccc2c1N1CCNCC1.
What is the InChIKey of 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole?
The InChIKey is UADRTJMUISNABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-13(17-7-5-15-6-8-17)10-3-2-4-11(14)12(10)16-9/h2-4,15-16H,5-8H2,1H3.
What are the key properties of 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole?
7-chloro-2-methyl-3-piperazin-1-yl-1H-indole has a molecular weight of 249.74 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3-piperazin-1-yl-1H-indole is sourced from PubChem (CID 82279937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).