6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole

C15H19Cl2N3 — CID 83949063

IUPAC6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole
SMILESClc1ccc2c(CCCN3CCNCC3)c[nH]c2c1Cl
InChIInChI=1S/C15H19Cl2N3/c16-13-4-3-12-11(10-19-15(12)14(13)17)2-1-7-20-8-5-18-6-9-20/h3-4,10,18-19H,1-2,5-9H2
InChIKeyHRZAYOIDWHGWCD-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.31
Rot. Bonds4

About 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole

6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole (PubChem CID 83949063) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole
PubChem CID83949063
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole
SMILESClc1ccc2c(CCCN3CCNCC3)c[nH]c2c1Cl
InChIInChI=1S/C15H19Cl2N3/c16-13-4-3-12-11(10-19-15(12)14(13)17)2-1-7-20-8-5-18-6-9-20/h3-4,10,18-19H,1-2,5-9H2
InChIKeyHRZAYOIDWHGWCD-UHFFFAOYSA-N
XLogP3.31
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
1-[3-(2,5-dichlorophenyl)propyl]-1,4-diazepane
CID 83931363
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
5-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole-6-carboxylic acid
CID 83947109
3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine
CID 67655236
7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole
CID 82501403
5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 57377386
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
CID 117493145

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole?
The IUPAC name of 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole (CID 83949063) is 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole.
What is the SMILES notation for 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole?
The canonical SMILES for 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole is Clc1ccc2c(CCCN3CCNCC3)c[nH]c2c1Cl.
What is the InChIKey of 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole?
The InChIKey is HRZAYOIDWHGWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c16-13-4-3-12-11(10-19-15(12)14(13)17)2-1-7-20-8-5-18-6-9-20/h3-4,10,18-19H,1-2,5-9H2.
What are the key properties of 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole?
6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole has a molecular weight of 312.24 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole is sourced from PubChem (CID 83949063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).