1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride

C15H20Cl2N2 — CID 173450913

IUPAC1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride
SMILESCN1CCC(c2nccc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C15H18N2.2ClH/c1-17-10-7-13(8-11-17)15-14-5-3-2-4-12(14)6-9-16-15;;/h2-6,9,13H,7-8,10-11H2,1H3;2*1H
InChIKeyNNBHQOZSGHTVRX-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.89
Rot. Bonds1

About 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride

1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride (PubChem CID 173450913) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride
PubChem CID173450913
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride
SMILESCN1CCC(c2nccc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C15H18N2.2ClH/c1-17-10-7-13(8-11-17)15-14-5-3-2-4-12(14)6-9-16-15;;/h2-6,9,13H,7-8,10-11H2,1H3;2*1H
InChIKeyNNBHQOZSGHTVRX-UHFFFAOYSA-N
XLogP3.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride 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-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride?
The IUPAC name of 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride (CID 173450913) is 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride is CN1CCC(c2nccc3ccccc23)CC1.Cl.Cl.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride?
The InChIKey is NNBHQOZSGHTVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.2ClH/c1-17-10-7-13(8-11-17)15-14-5-3-2-4-12(14)6-9-16-15;;/h2-6,9,13H,7-8,10-11H2,1H3;2*1H.
What are the key properties of 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride?
1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride has a molecular weight of 299.25 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride is sourced from PubChem (CID 173450913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).