1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride

C18H24ClN3O — CID 21149439

IUPAC1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
SMILESCc1ccccc1N1CCN(CCOc2ccccn2)CC1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-16-6-2-3-7-17(16)21-12-10-20(11-13-21)14-15-22-18-8-4-5-9-19-18;/h2-9H,10-15H2,1H3;1H
InChIKeyZFNLWKGFYDHYKF-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.01
Rot. Bonds5

About 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride

1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride (PubChem CID 21149439) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
PubChem CID21149439
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
SMILESCc1ccccc1N1CCN(CCOc2ccccn2)CC1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-16-6-2-3-7-17(16)21-12-10-20(11-13-21)14-15-22-18-8-4-5-9-19-18;/h2-9H,10-15H2,1H3;1H
InChIKeyZFNLWKGFYDHYKF-UHFFFAOYSA-N
XLogP3.01
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
CID 67885692
1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride
CID 6451642
2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol
CID 20980348
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride
CID 3078068
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
CID 134154490
phenyl 2-[4-(2-methylphenyl)piperazin-1-yl]ethanesulfonate
CID 8725059
5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine
CID 138005559
N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine
CID 10492743
3-pyridin-2-ylpropyl 4-(2-methylphenyl)piperazine-1-carboxylate
CID 6733850

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride?
The IUPAC name of 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride (CID 21149439) is 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride is Cc1ccccc1N1CCN(CCOc2ccccn2)CC1.Cl.
What is the InChIKey of 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride?
The InChIKey is ZFNLWKGFYDHYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.ClH/c1-16-6-2-3-7-17(16)21-12-10-20(11-13-21)14-15-22-18-8-4-5-9-19-18;/h2-9H,10-15H2,1H3;1H.
What are the key properties of 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride?
1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride is sourced from PubChem (CID 21149439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).