1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

C18H23BrClN3O2 — CID 120910473

IUPAC1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCOc1cc(Br)c(CN2CCNCC2c2ccncc2)cc1OC.Cl
InChIInChI=1S/C18H22BrN3O2.ClH/c1-23-17-9-14(15(19)10-18(17)24-2)12-22-8-7-21-11-16(22)13-3-5-20-6-4-13;/h3-6,9-10,16,21H,7-8,11-12H2,1-2H3;1H
InChIKeyCNNSMRQMIFIJQF-UHFFFAOYSA-N
MW428.76 g/mol
LogP3.43
Rot. Bonds5

About 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910473) has the molecular formula C18H23BrClN3O2 and a molecular weight of 428.76 g/mol. Its IUPAC name is 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910473
Molecular FormulaC18H23BrClN3O2
Molecular Weight428.76 g/mol
Exact Mass427.07
IUPAC Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCOc1cc(Br)c(CN2CCNCC2c2ccncc2)cc1OC.Cl
InChIInChI=1S/C18H22BrN3O2.ClH/c1-23-17-9-14(15(19)10-18(17)24-2)12-22-8-7-21-11-16(22)13-3-5-20-6-4-13;/h3-6,9-10,16,21H,7-8,11-12H2,1-2H3;1H
InChIKeyCNNSMRQMIFIJQF-UHFFFAOYSA-N
XLogP3.43
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-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-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910405
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910164
1-[(4-methoxy-3-nitrophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910353
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910473) is 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is COc1cc(Br)c(CN2CCNCC2c2ccncc2)cc1OC.Cl.
What is the InChIKey of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is CNNSMRQMIFIJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2.ClH/c1-23-17-9-14(15(19)10-18(17)24-2)12-22-8-7-21-11-16(22)13-3-5-20-6-4-13;/h3-6,9-10,16,21H,7-8,11-12H2,1-2H3;1H.
What are the key properties of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 428.76 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).