1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole

C17H25N3 — CID 95426562

IUPAC1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCc1c(CCCN2CCNCC2)c2ccccc2n1C
InChIInChI=1S/C17H25N3/c1-14-15(7-5-11-20-12-9-18-10-13-20)16-6-3-4-8-17(16)19(14)2/h3-4,6,8,18H,5,7,9-13H2,1-2H3
InChIKeyTXWBAOIBGSTKSR-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.32
Rot. Bonds4

About 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole

1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole (PubChem CID 95426562) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole.

Molecular Properties

Compound Name1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
PubChem CID95426562
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCc1c(CCCN2CCNCC2)c2ccccc2n1C
InChIInChI=1S/C17H25N3/c1-14-15(7-5-11-20-12-9-18-10-13-20)16-6-3-4-8-17(16)19(14)2/h3-4,6,8,18H,5,7,9-13H2,1-2H3
InChIKeyTXWBAOIBGSTKSR-UHFFFAOYSA-N
XLogP2.32
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868396
2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868356
2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864109
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
1-pentylpiperazine;toluene
CID 68982278
2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
CID 110768819
1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one
CID 81243681
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
The IUPAC name of 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole (CID 95426562) is 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole.
What is the SMILES notation for 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
The canonical SMILES for 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole is Cc1c(CCCN2CCNCC2)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
The InChIKey is TXWBAOIBGSTKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-15(7-5-11-20-12-9-18-10-13-20)16-6-3-4-8-17(16)19(14)2/h3-4,6,8,18H,5,7,9-13H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole has a molecular weight of 271.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole is sourced from PubChem (CID 95426562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).