5-(2,5-dimethylpiperazin-1-yl)isoquinoline

C15H19N3 — CID 64936926

IUPAC5-(2,5-dimethylpiperazin-1-yl)isoquinoline
SMILESCC1CN(c2cccc3cnccc23)C(C)CN1
InChIInChI=1S/C15H19N3/c1-11-10-18(12(2)8-17-11)15-5-3-4-13-9-16-7-6-14(13)15/h3-7,9,11-12,17H,8,10H2,1-2H3
InChIKeyFCGYQPWVUFAXBQ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.42
Rot. Bonds1

About 5-(2,5-dimethylpiperazin-1-yl)isoquinoline

5-(2,5-dimethylpiperazin-1-yl)isoquinoline (PubChem CID 64936926) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(2,5-dimethylpiperazin-1-yl)isoquinoline.

Molecular Properties

Compound Name5-(2,5-dimethylpiperazin-1-yl)isoquinoline
PubChem CID64936926
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(2,5-dimethylpiperazin-1-yl)isoquinoline
SMILESCC1CN(c2cccc3cnccc23)C(C)CN1
InChIInChI=1S/C15H19N3/c1-11-10-18(12(2)8-17-11)15-5-3-4-13-9-16-7-6-14(13)15/h3-7,9,11-12,17H,8,10H2,1-2H3
InChIKeyFCGYQPWVUFAXBQ-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpiperazin-1-yl)isoquinoline?
The IUPAC name of 5-(2,5-dimethylpiperazin-1-yl)isoquinoline (CID 64936926) is 5-(2,5-dimethylpiperazin-1-yl)isoquinoline.
What is the SMILES notation for 5-(2,5-dimethylpiperazin-1-yl)isoquinoline?
The canonical SMILES for 5-(2,5-dimethylpiperazin-1-yl)isoquinoline is CC1CN(c2cccc3cnccc23)C(C)CN1.
What is the InChIKey of 5-(2,5-dimethylpiperazin-1-yl)isoquinoline?
The InChIKey is FCGYQPWVUFAXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-10-18(12(2)8-17-11)15-5-3-4-13-9-16-7-6-14(13)15/h3-7,9,11-12,17H,8,10H2,1-2H3.
What are the key properties of 5-(2,5-dimethylpiperazin-1-yl)isoquinoline?
5-(2,5-dimethylpiperazin-1-yl)isoquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpiperazin-1-yl)isoquinoline is sourced from PubChem (CID 64936926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).