4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole

C15H22ClN3 — CID 117200083

IUPAC4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCCN1CC(CN2CCNCC2)c2c(Cl)cccc21
InChIInChI=1S/C15H22ClN3/c1-2-19-11-12(10-18-8-6-17-7-9-18)15-13(16)4-3-5-14(15)19/h3-5,12,17H,2,6-11H2,1H3
InChIKeyMZPJEKRLONVYEF-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.17
Rot. Bonds3

About 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole

4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole (PubChem CID 117200083) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
PubChem CID117200083
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCCN1CC(CN2CCNCC2)c2c(Cl)cccc21
InChIInChI=1S/C15H22ClN3/c1-2-19-11-12(10-18-8-6-17-7-9-18)15-13(16)4-3-5-14(15)19/h3-5,12,17H,2,6-11H2,1H3
InChIKeyMZPJEKRLONVYEF-UHFFFAOYSA-N
XLogP2.17
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole (CID 117200083) is 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole is CCN1CC(CN2CCNCC2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The InChIKey is MZPJEKRLONVYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-2-19-11-12(10-18-8-6-17-7-9-18)15-13(16)4-3-5-14(15)19/h3-5,12,17H,2,6-11H2,1H3.
What are the key properties of 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole has a molecular weight of 279.81 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 117200083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).