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

C15H23N3O — CID 117408497

IUPAC4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCOc1c(CN2CCNCC2)ccc2c1CCN2C
InChIInChI=1S/C15H23N3O/c1-17-8-5-13-14(17)4-3-12(15(13)19-2)11-18-9-6-16-7-10-18/h3-4,16H,5-11H2,1-2H3
InChIKeyIHHQGMQQLXIJGE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.09
Rot. Bonds3

About 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole

4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole (PubChem CID 117408497) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
PubChem CID117408497
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCOc1c(CN2CCNCC2)ccc2c1CCN2C
InChIInChI=1S/C15H23N3O/c1-17-8-5-13-14(17)4-3-12(15(13)19-2)11-18-9-6-16-7-10-18/h3-4,16H,5-11H2,1-2H3
InChIKeyIHHQGMQQLXIJGE-UHFFFAOYSA-N
XLogP1.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

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CID 59161326
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CID 117488144
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine
CID 117424714
1-ethyl-5,8-dimethoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 83957001
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
(E)-but-2-enedioic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 25153728
4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine
CID 117374655
1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
CID 117466502
1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole
CID 146317920

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole (CID 117408497) is 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole is COc1c(CN2CCNCC2)ccc2c1CCN2C.
What is the InChIKey of 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The InChIKey is IHHQGMQQLXIJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-8-5-13-14(17)4-3-12(15(13)19-2)11-18-9-6-16-7-10-18/h3-4,16H,5-11H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole?
4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole has a molecular weight of 261.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 117408497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).