1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

C18H24ClN3 — CID 120754734

IUPAC1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCc1cccc(C)c1CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C18H23N3.ClH/c1-14-5-3-6-15(2)17(14)13-21-10-9-20-12-18(21)16-7-4-8-19-11-16;/h3-8,11,18,20H,9-10,12-13H2,1-2H3;1H
InChIKeyKBUCESLJFZNCGA-UHFFFAOYSA-N
MW317.86 g/mol
LogP3.27
Rot. Bonds3

About 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120754734) has the molecular formula C18H24ClN3 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120754734
Molecular FormulaC18H24ClN3
Molecular Weight317.86 g/mol
Exact Mass317.17
IUPAC Name1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCc1cccc(C)c1CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C18H23N3.ClH/c1-14-5-3-6-15(2)17(14)13-21-10-9-20-12-18(21)16-7-4-8-19-11-16;/h3-8,11,18,20H,9-10,12-13H2,1-2H3;1H
InChIKeyKBUCESLJFZNCGA-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-[2,4,6-trimethyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]ethanone;hydrochloride
CID 120755320
1-[2,4,6-trimethyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]ethanone
CID 120755321
1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768241
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;dihydrochloride
CID 120755583
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (CID 120754734) is 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is Cc1cccc(C)c1CN1CCNCC1c1cccnc1.Cl.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is KBUCESLJFZNCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3.ClH/c1-14-5-3-6-15(2)17(14)13-21-10-9-20-12-18(21)16-7-4-8-19-11-16;/h3-8,11,18,20H,9-10,12-13H2,1-2H3;1H.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120754734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).