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

C18H23Cl2N3O2 — CID 120767853

IUPAC1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)c(Cl)c1OC.Cl
InChIInChI=1S/C18H22ClN3O2.ClH/c1-23-16-6-5-14(17(19)18(16)24-2)12-22-9-8-21-11-15(22)13-4-3-7-20-10-13;/h3-7,10,15,21H,8-9,11-12H2,1-2H3;1H
InChIKeyQURALZAAZSSXJH-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.32
Rot. Bonds5

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

1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120767853) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120767853
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)c(Cl)c1OC.Cl
InChIInChI=1S/C18H22ClN3O2.ClH/c1-23-16-6-5-14(17(19)18(16)24-2)12-22-9-8-21-11-15(22)13-4-3-7-20-10-13;/h3-7,10,15,21H,8-9,11-12H2,1-2H3;1H
InChIKeyQURALZAAZSSXJH-UHFFFAOYSA-N
XLogP3.32
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767334
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754750
5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one
CID 120755423
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
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (CID 120767853) is 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is COc1ccc(CN2CCNCC2c2cccnc2)c(Cl)c1OC.Cl.
What is the InChIKey of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is QURALZAAZSSXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2.ClH/c1-23-16-6-5-14(17(19)18(16)24-2)12-22-9-8-21-11-15(22)13-4-3-7-20-10-13;/h3-7,10,15,21H,8-9,11-12H2,1-2H3;1H.
What are the key properties of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 384.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120767853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).