5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole

C16H23N3 — CID 84636727

IUPAC5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole
SMILESCCc1ccc2[nH]c(CN3CCNCC3)c(C)c2c1
InChIInChI=1S/C16H23N3/c1-3-13-4-5-15-14(10-13)12(2)16(18-15)11-19-8-6-17-7-9-19/h4-5,10,17-18H,3,6-9,11H2,1-2H3
InChIKeyQRRAIMLZTKTDBQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.44
Rot. Bonds3

About 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole

5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole (PubChem CID 84636727) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole
PubChem CID84636727
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole
SMILESCCc1ccc2[nH]c(CN3CCNCC3)c(C)c2c1
InChIInChI=1S/C16H23N3/c1-3-13-4-5-15-14(10-13)12(2)16(18-15)11-19-8-6-17-7-9-19/h4-5,10,17-18H,3,6-9,11H2,1-2H3
InChIKeyQRRAIMLZTKTDBQ-UHFFFAOYSA-N
XLogP2.44
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.44
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

3,4,6-trimethyl-2-(piperazin-1-ylmethyl)-1H-indole
CID 84636758
1-[1-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137335134
6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 702770
4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
CID 117111686
1-[(4-ethylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906411
3-chloro-2-(piperazin-1-ylmethyl)-1H-indole
CID 82511748
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 46967079
2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
CID 71137798
2-ethyl-3,5-dimethyl-1H-indole
CID 1209049
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole
CID 95433688
3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one
CID 70269014

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole?
The IUPAC name of 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole (CID 84636727) is 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole?
The canonical SMILES for 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole is CCc1ccc2[nH]c(CN3CCNCC3)c(C)c2c1.
What is the InChIKey of 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole?
The InChIKey is QRRAIMLZTKTDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-13-4-5-15-14(10-13)12(2)16(18-15)11-19-8-6-17-7-9-19/h4-5,10,17-18H,3,6-9,11H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole?
5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 84636727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).