1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole

C14H20ClN3 — CID 154153085

IUPAC1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole
SMILESCCN1CCN(c2ccc3c(c2)N(Cl)CC3)CC1
InChIInChI=1S/C14H20ClN3/c1-2-16-7-9-17(10-8-16)13-4-3-12-5-6-18(15)14(12)11-13/h3-4,11H,2,5-10H2,1H3
InChIKeyXZBRDJUXJUWCRQ-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.34
Rot. Bonds2

About 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole

1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole (PubChem CID 154153085) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole
PubChem CID154153085
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole
SMILESCCN1CCN(c2ccc3c(c2)N(Cl)CC3)CC1
InChIInChI=1S/C14H20ClN3/c1-2-16-7-9-17(10-8-16)13-4-3-12-5-6-18(15)14(12)11-13/h3-4,11H,2,5-10H2,1H3
InChIKeyXZBRDJUXJUWCRQ-UHFFFAOYSA-N
XLogP2.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-ethylpiperazin-1-yl)phenol
CID 71406560
3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine
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6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
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1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
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[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol
CID 62134517
[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanamine
CID 62135177
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole
CID 158550826
2-cyclopropyl-4-(4-ethylpiperazin-1-yl)aniline
CID 177203986
1-[4-(bromomethyl)-2-chlorophenyl]-4-ethylpiperazine
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CID 118029333

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole?
The IUPAC name of 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole (CID 154153085) is 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole?
The canonical SMILES for 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole is CCN1CCN(c2ccc3c(c2)N(Cl)CC3)CC1.
What is the InChIKey of 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole?
The InChIKey is XZBRDJUXJUWCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-2-16-7-9-17(10-8-16)13-4-3-12-5-6-18(15)14(12)11-13/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole?
1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole has a molecular weight of 265.79 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole is sourced from PubChem (CID 154153085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).