5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole

C14H20ClN3 — CID 117201093

IUPAC5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCN1c2ccc(Cl)cc2CC1CN1CCNCC1
InChIInChI=1S/C14H20ClN3/c1-17-13(10-18-6-4-16-5-7-18)9-11-8-12(15)2-3-14(11)17/h2-3,8,13,16H,4-7,9-10H2,1H3
InChIKeyIMYYFMWEGZIFEU-UHFFFAOYSA-N
MW265.79 g/mol
LogP1.61
Rot. Bonds2

About 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole

5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole (PubChem CID 117201093) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
PubChem CID117201093
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCN1c2ccc(Cl)cc2CC1CN1CCNCC1
InChIInChI=1S/C14H20ClN3/c1-17-13(10-18-6-4-16-5-7-18)9-11-8-12(15)2-3-14(11)17/h2-3,8,13,16H,4-7,9-10H2,1H3
InChIKeyIMYYFMWEGZIFEU-UHFFFAOYSA-N
XLogP1.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole (CID 117201093) is 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole is CN1c2ccc(Cl)cc2CC1CN1CCNCC1.
What is the InChIKey of 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The InChIKey is IMYYFMWEGZIFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-17-13(10-18-6-4-16-5-7-18)9-11-8-12(15)2-3-14(11)17/h2-3,8,13,16H,4-7,9-10H2,1H3.
What are the key properties of 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole?
5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole has a molecular weight of 265.79 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 117201093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).