5-(3-methylpiperazin-1-yl)isoquinoline

C14H17N3 — CID 62812298

IUPAC5-(3-methylpiperazin-1-yl)isoquinoline
SMILESCC1CN(c2cccc3cnccc23)CCN1
InChIInChI=1S/C14H17N3/c1-11-10-17(8-7-16-11)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3
InChIKeyCRWCGRCOXPDTBA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.03
Rot. Bonds1

About 5-(3-methylpiperazin-1-yl)isoquinoline

5-(3-methylpiperazin-1-yl)isoquinoline (PubChem CID 62812298) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(3-methylpiperazin-1-yl)isoquinoline.

Molecular Properties

Compound Name5-(3-methylpiperazin-1-yl)isoquinoline
PubChem CID62812298
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-(3-methylpiperazin-1-yl)isoquinoline
SMILESCC1CN(c2cccc3cnccc23)CCN1
InChIInChI=1S/C14H17N3/c1-11-10-17(8-7-16-11)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3
InChIKeyCRWCGRCOXPDTBA-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-methylpiperazin-1-yl)isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperazin-1-yl)isoquinoline?
The IUPAC name of 5-(3-methylpiperazin-1-yl)isoquinoline (CID 62812298) is 5-(3-methylpiperazin-1-yl)isoquinoline.
What is the SMILES notation for 5-(3-methylpiperazin-1-yl)isoquinoline?
The canonical SMILES for 5-(3-methylpiperazin-1-yl)isoquinoline is CC1CN(c2cccc3cnccc23)CCN1.
What is the InChIKey of 5-(3-methylpiperazin-1-yl)isoquinoline?
The InChIKey is CRWCGRCOXPDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-10-17(8-7-16-11)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3.
What are the key properties of 5-(3-methylpiperazin-1-yl)isoquinoline?
5-(3-methylpiperazin-1-yl)isoquinoline has a molecular weight of 227.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperazin-1-yl)isoquinoline is sourced from PubChem (CID 62812298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).