5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole

C14H19N3O — CID 82622654

IUPAC5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole
SMILESCOc1ccc2[nH]cc(N3CCNCC3)c2c1C
InChIInChI=1S/C14H19N3O/c1-10-13(18-2)4-3-11-14(10)12(9-16-11)17-7-5-15-6-8-17/h3-4,9,15-16H,5-8H2,1-2H3
InChIKeyWCMZBCODZYEXNZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.89
Rot. Bonds2

About 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole

5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole (PubChem CID 82622654) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole
PubChem CID82622654
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole
SMILESCOc1ccc2[nH]cc(N3CCNCC3)c2c1C
InChIInChI=1S/C14H19N3O/c1-10-13(18-2)4-3-11-14(10)12(9-16-11)17-7-5-15-6-8-17/h3-4,9,15-16H,5-8H2,1-2H3
InChIKeyWCMZBCODZYEXNZ-UHFFFAOYSA-N
XLogP1.89
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine
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CID 71756588
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
CID 140978412
acetaldehyde;1-(2-methoxyphenyl)piperazine
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1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
CID 84800502
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988
3-piperazin-1-yl-1H-indole
CID 19379845
1-(4-iodo-2-methoxyphenyl)piperazine
CID 134534497
4-methoxy-3-(4-methyl-2-piperazin-1-ylphenyl)sulfanyl-1H-indole;7-methoxy-3-(4-methyl-2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 157091462
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole?
The IUPAC name of 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole (CID 82622654) is 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole.
What is the SMILES notation for 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole?
The canonical SMILES for 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole is COc1ccc2[nH]cc(N3CCNCC3)c2c1C.
What is the InChIKey of 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole?
The InChIKey is WCMZBCODZYEXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-13(18-2)4-3-11-14(10)12(9-16-11)17-7-5-15-6-8-17/h3-4,9,15-16H,5-8H2,1-2H3.
What are the key properties of 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole?
5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole has a molecular weight of 245.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole is sourced from PubChem (CID 82622654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).