2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride

C17H22ClN3 — CID 118741918

IUPAC2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride
SMILESCc1ccc(Cc2cnc(C3CCNCC3)cn2)cc1.Cl
InChIInChI=1S/C17H21N3.ClH/c1-13-2-4-14(5-3-13)10-16-11-20-17(12-19-16)15-6-8-18-9-7-15;/h2-5,11-12,15,18H,6-10H2,1H3;1H
InChIKeyAERVRKZYMXXVGO-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.26
Rot. Bonds3

About 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride

2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride (PubChem CID 118741918) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride
PubChem CID118741918
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride
SMILESCc1ccc(Cc2cnc(C3CCNCC3)cn2)cc1.Cl
InChIInChI=1S/C17H21N3.ClH/c1-13-2-4-14(5-3-13)10-16-11-20-17(12-19-16)15-6-8-18-9-7-15;/h2-5,11-12,15,18H,6-10H2,1H3;1H
InChIKeyAERVRKZYMXXVGO-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;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-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride?
The IUPAC name of 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride (CID 118741918) is 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride is Cc1ccc(Cc2cnc(C3CCNCC3)cn2)cc1.Cl.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride?
The InChIKey is AERVRKZYMXXVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.ClH/c1-13-2-4-14(5-3-13)10-16-11-20-17(12-19-16)15-6-8-18-9-7-15;/h2-5,11-12,15,18H,6-10H2,1H3;1H.
What are the key properties of 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride?
2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride is sourced from PubChem (CID 118741918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).