3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride

C15H20ClN3 — CID 70138752

IUPAC3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride
SMILESCCN1CCN(c2cc3ccccc3cn2)CC1.Cl
InChIInChI=1S/C15H19N3.ClH/c1-2-17-7-9-18(10-8-17)15-11-13-5-3-4-6-14(13)12-16-15;/h3-6,11-12H,2,7-10H2,1H3;1H
InChIKeyBKIGBZUPWJGWLA-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.80
Rot. Bonds2

About 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride

3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride (PubChem CID 70138752) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride
PubChem CID70138752
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride
SMILESCCN1CCN(c2cc3ccccc3cn2)CC1.Cl
InChIInChI=1S/C15H19N3.ClH/c1-2-17-7-9-18(10-8-17)15-11-13-5-3-4-6-14(13)12-16-15;/h3-6,11-12H,2,7-10H2,1H3;1H
InChIKeyBKIGBZUPWJGWLA-UHFFFAOYSA-N
XLogP2.80
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
2-(4-ethylpiperazin-1-yl)-5-methylpyridin-4-amine
CID 83265203
1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
CID 115773789
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
2-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112858045
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545622
5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53037210
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride (CID 70138752) is 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride is CCN1CCN(c2cc3ccccc3cn2)CC1.Cl.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride?
The InChIKey is BKIGBZUPWJGWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.ClH/c1-2-17-7-9-18(10-8-17)15-11-13-5-3-4-6-14(13)12-16-15;/h3-6,11-12H,2,7-10H2,1H3;1H.
What are the key properties of 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride?
3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride is sourced from PubChem (CID 70138752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).