5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole

C14H18ClN3 — CID 82277469

IUPAC5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
SMILESClc1ccc2[nH]cc(CCN3CCNCC3)c2c1
InChIInChI=1S/C14H18ClN3/c15-12-1-2-14-13(9-12)11(10-17-14)3-6-18-7-4-16-5-8-18/h1-2,9-10,16-17H,3-8H2
InChIKeyINLAWZPLDFNCDJ-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.27
Rot. Bonds3

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

5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole (PubChem CID 82277469) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
PubChem CID82277469
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
SMILESClc1ccc2[nH]cc(CCN3CCNCC3)c2c1
InChIInChI=1S/C14H18ClN3/c15-12-1-2-14-13(9-12)11(10-17-14)3-6-18-7-4-16-5-8-18/h1-2,9-10,16-17H,3-8H2
InChIKeyINLAWZPLDFNCDJ-UHFFFAOYSA-N
XLogP2.27
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
5-chloro-3-[3-[6-(3-piperazin-1-ylpropoxy)-2H-pyridin-1-yl]propyl]-1H-indole
CID 165176811
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 82264855
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole?
The IUPAC name of 5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole (CID 82277469) is 5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole.
What is the SMILES notation for 5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole?
The canonical SMILES for 5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole is Clc1ccc2[nH]cc(CCN3CCNCC3)c2c1.
What is the InChIKey of 5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole?
The InChIKey is INLAWZPLDFNCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c15-12-1-2-14-13(9-12)11(10-17-14)3-6-18-7-4-16-5-8-18/h1-2,9-10,16-17H,3-8H2.
What are the key properties of 5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole?
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole has a molecular weight of 263.77 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole is sourced from PubChem (CID 82277469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).