1-piperazin-1-ylisoquinoline

C13H15N3 — CID 15887436

IUPAC1-piperazin-1-ylisoquinoline
SMILESc1ccc2c(N3CCNCC3)nccc2c1
InChIInChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
InChIKeyIDFYLSABDUMICK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds1

About 1-piperazin-1-ylisoquinoline

1-piperazin-1-ylisoquinoline (PubChem CID 15887436) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-piperazin-1-ylisoquinoline.

Molecular Properties

Compound Name1-piperazin-1-ylisoquinoline
PubChem CID15887436
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-piperazin-1-ylisoquinoline
SMILESc1ccc2c(N3CCNCC3)nccc2c1
InChIInChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
InChIKeyIDFYLSABDUMICK-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylisoquinoline?
The IUPAC name of 1-piperazin-1-ylisoquinoline (CID 15887436) is 1-piperazin-1-ylisoquinoline.
What is the SMILES notation for 1-piperazin-1-ylisoquinoline?
The canonical SMILES for 1-piperazin-1-ylisoquinoline is c1ccc2c(N3CCNCC3)nccc2c1.
What is the InChIKey of 1-piperazin-1-ylisoquinoline?
The InChIKey is IDFYLSABDUMICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16/h1-6,14H,7-10H2.
What are the key properties of 1-piperazin-1-ylisoquinoline?
1-piperazin-1-ylisoquinoline has a molecular weight of 213.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylisoquinoline is sourced from PubChem (CID 15887436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).