6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole

C14H18ClN3 — CID 82666808

IUPAC6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole
SMILESCN1CCNCC1c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C14H18ClN3/c1-17-6-5-16-8-14(17)12-9-18(2)13-7-10(15)3-4-11(12)13/h3-4,7,9,14,16H,5-6,8H2,1-2H3
InChIKeyDPMMMWDCQSPDGV-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.41
Rot. Bonds1

About 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole

6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole (PubChem CID 82666808) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole.

Molecular Properties

Compound Name6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole
PubChem CID82666808
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole
SMILESCN1CCNCC1c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C14H18ClN3/c1-17-6-5-16-8-14(17)12-9-18(2)13-7-10(15)3-4-11(12)13/h3-4,7,9,14,16H,5-6,8H2,1-2H3
InChIKeyDPMMMWDCQSPDGV-UHFFFAOYSA-N
XLogP2.41
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole
CID 84636743
5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole
CID 82666813
6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82278751
6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990137
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
2-chloro-4-(1-methylpiperazin-2-yl)phenol
CID 82679784
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529
3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine
CID 82666157
N-[4-chloro-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120959975
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
5-[(2,5-dichlorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960201

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole?
The IUPAC name of 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole (CID 82666808) is 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole.
What is the SMILES notation for 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole?
The canonical SMILES for 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole is CN1CCNCC1c1cn(C)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole?
The InChIKey is DPMMMWDCQSPDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-17-6-5-16-8-14(17)12-9-18(2)13-7-10(15)3-4-11(12)13/h3-4,7,9,14,16H,5-6,8H2,1-2H3.
What are the key properties of 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole?
6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole has a molecular weight of 263.77 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole is sourced from PubChem (CID 82666808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).