2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride

C17H24ClN3O — CID 23321170

IUPAC2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride
SMILESCc1ccc2cc(N3CCN(CCO)CC3)ncc2c1C.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-13-3-4-15-11-17(18-12-16(15)14(13)2)20-7-5-19(6-8-20)9-10-21;/h3-4,11-12,21H,5-10H2,1-2H3;1H
InChIKeyCMOFJABNYIBAFX-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.39
Rot. Bonds3

About 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride

2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride (PubChem CID 23321170) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride
PubChem CID23321170
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride
SMILESCc1ccc2cc(N3CCN(CCO)CC3)ncc2c1C.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-13-3-4-15-11-17(18-12-16(15)14(13)2)20-7-5-19(6-8-20)9-10-21;/h3-4,11-12,21H,5-10H2,1-2H3;1H
InChIKeyCMOFJABNYIBAFX-UHFFFAOYSA-N
XLogP2.39
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride 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 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride (CID 23321170) is 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride is Cc1ccc2cc(N3CCN(CCO)CC3)ncc2c1C.Cl.
What is the InChIKey of 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is CMOFJABNYIBAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.ClH/c1-13-3-4-15-11-17(18-12-16(15)14(13)2)20-7-5-19(6-8-20)9-10-21;/h3-4,11-12,21H,5-10H2,1-2H3;1H.
What are the key properties of 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride?
2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,8-dimethylisoquinolin-3-yl)piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 23321170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).