1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

C16H18Cl3N3 — CID 120910755

IUPAC1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.Clc1cccc(CN2CCNCC2c2ccncc2)c1Cl
InChIInChI=1S/C16H17Cl2N3.ClH/c17-14-3-1-2-13(16(14)18)11-21-9-8-20-10-15(21)12-4-6-19-7-5-12;/h1-7,15,20H,8-11H2;1H
InChIKeyMWDQEMPIZOVWMK-UHFFFAOYSA-N
MW358.70 g/mol
LogP3.96
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910755) has the molecular formula C16H18Cl3N3 and a molecular weight of 358.70 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910755
Molecular FormulaC16H18Cl3N3
Molecular Weight358.70 g/mol
Exact Mass357.06
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.Clc1cccc(CN2CCNCC2c2ccncc2)c1Cl
InChIInChI=1S/C16H17Cl2N3.ClH/c17-14-3-1-2-13(16(14)18)11-21-9-8-20-10-15(21)12-4-6-19-7-5-12;/h1-7,15,20H,8-11H2;1H
InChIKeyMWDQEMPIZOVWMK-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910755) is 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is Cl.Clc1cccc(CN2CCNCC2c2ccncc2)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is MWDQEMPIZOVWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3.ClH/c17-14-3-1-2-13(16(14)18)11-21-9-8-20-10-15(21)12-4-6-19-7-5-12;/h1-7,15,20H,8-11H2;1H.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 358.70 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).