1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole

C20H25N3 — CID 155756317

IUPAC1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole
SMILESCC1CNCCN1Cc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C20H25N3/c1-16-14-21-11-13-22(16)15-18-7-3-5-9-20(18)23-12-10-17-6-2-4-8-19(17)23/h2-9,16,21H,10-15H2,1H3
InChIKeyGWVLASKIRHPBTB-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.17
Rot. Bonds3

About 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole

1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole (PubChem CID 155756317) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole
PubChem CID155756317
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole
SMILESCC1CNCCN1Cc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C20H25N3/c1-16-14-21-11-13-22(16)15-18-7-3-5-9-20(18)23-12-10-17-6-2-4-8-19(17)23/h2-9,16,21H,10-15H2,1H3
InChIKeyGWVLASKIRHPBTB-UHFFFAOYSA-N
XLogP3.17
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916613
(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
8-[[(2R)-2-methylpiperazin-1-yl]methyl]quinoline
CID 82713629
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 82755125
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 62671549
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2S)-1-[(2-fluoro-3-nitrophenyl)methyl]-2-methylpiperazine
CID 107350328

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole?
The IUPAC name of 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole (CID 155756317) is 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole is CC1CNCCN1Cc1ccccc1N1CCc2ccccc21.
What is the InChIKey of 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole?
The InChIKey is GWVLASKIRHPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-16-14-21-11-13-22(16)15-18-7-3-5-9-20(18)23-12-10-17-6-2-4-8-19(17)23/h2-9,16,21H,10-15H2,1H3.
What are the key properties of 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole?
1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole has a molecular weight of 307.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydroindole is sourced from PubChem (CID 155756317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).