6-ethyl-1-piperazin-1-ylisoquinoline

C15H19N3 — CID 82276441

IUPAC6-ethyl-1-piperazin-1-ylisoquinoline
SMILESCCc1ccc2c(N3CCNCC3)nccc2c1
InChIInChI=1S/C15H19N3/c1-2-12-3-4-14-13(11-12)5-6-17-15(14)18-9-7-16-8-10-18/h3-6,11,16H,2,7-10H2,1H3
InChIKeyFXKNQCUYTQXQDR-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.21
Rot. Bonds2

About 6-ethyl-1-piperazin-1-ylisoquinoline

6-ethyl-1-piperazin-1-ylisoquinoline (PubChem CID 82276441) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-ethyl-1-piperazin-1-ylisoquinoline.

Molecular Properties

Compound Name6-ethyl-1-piperazin-1-ylisoquinoline
PubChem CID82276441
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name6-ethyl-1-piperazin-1-ylisoquinoline
SMILESCCc1ccc2c(N3CCNCC3)nccc2c1
InChIInChI=1S/C15H19N3/c1-2-12-3-4-14-13(11-12)5-6-17-15(14)18-9-7-16-8-10-18/h3-6,11,16H,2,7-10H2,1H3
InChIKeyFXKNQCUYTQXQDR-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
6-ethylisoquinoline-1-carboxylic acid
CID 70845015
4-piperazin-1-ylfuro[3,2-c]pyridine;dihydrochloride
CID 134830355
ethane;6-ethylisoquinoline-1-carboxylic acid
CID 170613134
2-[(4-methylphenyl)methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10047956
7-bromo-1-imidazolidin-1-ylisoquinoline
CID 174691972
1-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]isoquinoline
CID 50950975
1-(2-bromo-4-ethylphenyl)piperazine
CID 84712435
5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
CID 11514685
8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
1-piperazin-1-ylisoquinolin-5-amine
CID 82570237

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-piperazin-1-ylisoquinoline?
The IUPAC name of 6-ethyl-1-piperazin-1-ylisoquinoline (CID 82276441) is 6-ethyl-1-piperazin-1-ylisoquinoline.
What is the SMILES notation for 6-ethyl-1-piperazin-1-ylisoquinoline?
The canonical SMILES for 6-ethyl-1-piperazin-1-ylisoquinoline is CCc1ccc2c(N3CCNCC3)nccc2c1.
What is the InChIKey of 6-ethyl-1-piperazin-1-ylisoquinoline?
The InChIKey is FXKNQCUYTQXQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-12-3-4-14-13(11-12)5-6-17-15(14)18-9-7-16-8-10-18/h3-6,11,16H,2,7-10H2,1H3.
What are the key properties of 6-ethyl-1-piperazin-1-ylisoquinoline?
6-ethyl-1-piperazin-1-ylisoquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-piperazin-1-ylisoquinoline is sourced from PubChem (CID 82276441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).