5-(2-piperazin-1-ylethyl)isoquinoline

C15H19N3 — CID 117355834

IUPAC5-(2-piperazin-1-ylethyl)isoquinoline
SMILESc1cc(CCN2CCNCC2)c2ccncc2c1
InChIInChI=1S/C15H19N3/c1-2-13(5-9-18-10-7-16-8-11-18)15-4-6-17-12-14(15)3-1/h1-4,6,12,16H,5,7-11H2
InChIKeyXSMHNELEARRLMR-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.68
Rot. Bonds3

About 5-(2-piperazin-1-ylethyl)isoquinoline

5-(2-piperazin-1-ylethyl)isoquinoline (PubChem CID 117355834) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(2-piperazin-1-ylethyl)isoquinoline.

Molecular Properties

Compound Name5-(2-piperazin-1-ylethyl)isoquinoline
PubChem CID117355834
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(2-piperazin-1-ylethyl)isoquinoline
SMILESc1cc(CCN2CCNCC2)c2ccncc2c1
InChIInChI=1S/C15H19N3/c1-2-13(5-9-18-10-7-16-8-11-18)15-4-6-17-12-14(15)3-1/h1-4,6,12,16H,5,7-11H2
InChIKeyXSMHNELEARRLMR-UHFFFAOYSA-N
XLogP1.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
CID 84712711
5-[[(3S)-3-methylpiperazin-1-yl]methyl]isoquinoline
CID 24954893
4-(piperazin-1-ylmethyl)isoquinoline
CID 84791624
1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine
CID 83890061
4-(piperazin-1-ylmethyl)-2,6-naphthyridine
CID 84792284
N-[2-(1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide
CID 54071162
1-methyl-7-(2-piperazin-1-ylethyl)indole
CID 117360826
5-(3-chloro-4-methylpentyl)isoquinoline
CID 64506425
4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one
CID 168700186
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-(isoquinolin-5-ylmethyl)-N-methylmethanamine
CID 25450190
N-(3-isoquinolin-5-ylpropyl)thiohydroxylamine
CID 87755236
8-piperazin-1-ylisoquinoline
CID 21070960

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperazin-1-ylethyl)isoquinoline?
The IUPAC name of 5-(2-piperazin-1-ylethyl)isoquinoline (CID 117355834) is 5-(2-piperazin-1-ylethyl)isoquinoline.
What is the SMILES notation for 5-(2-piperazin-1-ylethyl)isoquinoline?
The canonical SMILES for 5-(2-piperazin-1-ylethyl)isoquinoline is c1cc(CCN2CCNCC2)c2ccncc2c1.
What is the InChIKey of 5-(2-piperazin-1-ylethyl)isoquinoline?
The InChIKey is XSMHNELEARRLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-13(5-9-18-10-7-16-8-11-18)15-4-6-17-12-14(15)3-1/h1-4,6,12,16H,5,7-11H2.
What are the key properties of 5-(2-piperazin-1-ylethyl)isoquinoline?
5-(2-piperazin-1-ylethyl)isoquinoline has a molecular weight of 241.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperazin-1-ylethyl)isoquinoline is sourced from PubChem (CID 117355834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).