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

C16H23N3 — CID 117185174

IUPAC1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
SMILESCCn1cc(CN2CCNCC2)c2cc(C)ccc21
InChIInChI=1S/C16H23N3/c1-3-19-12-14(11-18-8-6-17-7-9-18)15-10-13(2)4-5-16(15)19/h4-5,10,12,17H,3,6-9,11H2,1-2H3
InChIKeySZHWLLQUPKPZBL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.37
Rot. Bonds3

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

1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole (PubChem CID 117185174) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
PubChem CID117185174
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
SMILESCCn1cc(CN2CCNCC2)c2cc(C)ccc21
InChIInChI=1S/C16H23N3/c1-3-19-12-14(11-18-8-6-17-7-9-18)15-10-13(2)4-5-16(15)19/h4-5,10,12,17H,3,6-9,11H2,1-2H3
InChIKeySZHWLLQUPKPZBL-UHFFFAOYSA-N
XLogP2.37
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole?
The IUPAC name of 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole (CID 117185174) is 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole is CCn1cc(CN2CCNCC2)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole?
The InChIKey is SZHWLLQUPKPZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19-12-14(11-18-8-6-17-7-9-18)15-10-13(2)4-5-16(15)19/h4-5,10,12,17H,3,6-9,11H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole?
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole has a molecular weight of 257.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 117185174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).