1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline

C13H19N3 — CID 91044952

IUPAC1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2N1CCNCC1
InChIInChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16/h1-4,13-15H,5-10H2
InChIKeySTHCLEYMPYLFGL-UHFFFAOYSA-N
MW217.32 g/mol
LogP0.74
Rot. Bonds1

About 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline

1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 91044952) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID91044952
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2N1CCNCC1
InChIInChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16/h1-4,13-15H,5-10H2
InChIKeySTHCLEYMPYLFGL-UHFFFAOYSA-N
XLogP0.74
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline 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 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline (CID 91044952) is 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is STHCLEYMPYLFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16/h1-4,13-15H,5-10H2.
What are the key properties of 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline?
1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.32 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 91044952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).