2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole

C17H25N3 — CID 96679391

IUPAC2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
SMILESCc1cc(C)c2[nH]c(C)c(CCN3CCNCC3)c2c1
InChIInChI=1S/C17H25N3/c1-12-10-13(2)17-16(11-12)15(14(3)19-17)4-7-20-8-5-18-6-9-20/h10-11,18-19H,4-9H2,1-3H3
InChIKeyRXGZCRGMCQICQY-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.54
Rot. Bonds3

About 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole

2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole (PubChem CID 96679391) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
PubChem CID96679391
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
SMILESCc1cc(C)c2[nH]c(C)c(CCN3CCNCC3)c2c1
InChIInChI=1S/C17H25N3/c1-12-10-13(2)17-16(11-12)15(14(3)19-17)4-7-20-8-5-18-6-9-20/h10-11,18-19H,4-9H2,1-3H3
InChIKeyRXGZCRGMCQICQY-UHFFFAOYSA-N
XLogP2.54
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
CID 170871014
2,6-dimethyl-3-(2-piperazin-1-ylethyl)-1H-indole-7-carboxylic acid
CID 83947397
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1,4-diazepane
CID 82485738
7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole
CID 117440749
1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
CID 83948952
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
CID 82266205

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole?
The IUPAC name of 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole (CID 96679391) is 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole.
What is the SMILES notation for 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole?
The canonical SMILES for 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole is Cc1cc(C)c2[nH]c(C)c(CCN3CCNCC3)c2c1.
What is the InChIKey of 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole?
The InChIKey is RXGZCRGMCQICQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-10-13(2)17-16(11-12)15(14(3)19-17)4-7-20-8-5-18-6-9-20/h10-11,18-19H,4-9H2,1-3H3.
What are the key properties of 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole?
2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole has a molecular weight of 271.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole is sourced from PubChem (CID 96679391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).