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

C14H20ClN3 — CID 117199940

IUPAC4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCN1CC(CN2CCNCC2)c2c(Cl)cccc21
InChIInChI=1S/C14H20ClN3/c1-17-9-11(10-18-7-5-16-6-8-18)14-12(15)3-2-4-13(14)17/h2-4,11,16H,5-10H2,1H3
InChIKeyQBLSMIANOGVJBX-UHFFFAOYSA-N
MW265.79 g/mol
LogP1.78
Rot. Bonds2

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

4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole (PubChem CID 117199940) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
PubChem CID117199940
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCN1CC(CN2CCNCC2)c2c(Cl)cccc21
InChIInChI=1S/C14H20ClN3/c1-17-9-11(10-18-7-5-16-6-8-18)14-12(15)3-2-4-13(14)17/h2-4,11,16H,5-10H2,1H3
InChIKeyQBLSMIANOGVJBX-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117200083
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
N,N,1-trimethyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-amine
CID 82626186
3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
CID 117199908
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117199954
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol
CID 117200389
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
CID 64936902
2-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole (CID 117199940) is 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole is CN1CC(CN2CCNCC2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The InChIKey is QBLSMIANOGVJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-17-9-11(10-18-7-5-16-6-8-18)14-12(15)3-2-4-13(14)17/h2-4,11,16H,5-10H2,1H3.
What are the key properties of 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole has a molecular weight of 265.79 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 117199940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).