5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole

C14H18ClN3 — CID 82666813

IUPAC5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole
SMILESCc1c(C2CNCCN2C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H18ClN3/c1-9-11-7-10(15)3-4-12(11)17-14(9)13-8-16-5-6-18(13)2/h3-4,7,13,16-17H,5-6,8H2,1-2H3
InChIKeyZRFZRPPIXZAILZ-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.71
Rot. Bonds1

About 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole

5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole (PubChem CID 82666813) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole
PubChem CID82666813
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole
SMILESCc1c(C2CNCCN2C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H18ClN3/c1-9-11-7-10(15)3-4-12(11)17-14(9)13-8-16-5-6-18(13)2/h3-4,7,13,16-17H,5-6,8H2,1-2H3
InChIKeyZRFZRPPIXZAILZ-UHFFFAOYSA-N
XLogP2.71
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole
CID 82666808
6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 66911739
5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole
CID 84633326
6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990137
8-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740342
1-methyl-2-(3-methylthiophen-2-yl)piperazine
CID 116963174
2-chloro-4-(1-methylpiperazin-2-yl)phenol
CID 82679784
6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole
CID 84637866
5-[(2,5-dichlorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960201
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
CID 82305382
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole?
The IUPAC name of 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole (CID 82666813) is 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole.
What is the SMILES notation for 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole?
The canonical SMILES for 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole is Cc1c(C2CNCCN2C)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole?
The InChIKey is ZRFZRPPIXZAILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-11-7-10(15)3-4-12(11)17-14(9)13-8-16-5-6-18(13)2/h3-4,7,13,16-17H,5-6,8H2,1-2H3.
What are the key properties of 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole?
5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole has a molecular weight of 263.77 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole is sourced from PubChem (CID 82666813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).