1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine

C19H22Cl2N2O2 — CID 3600926

IUPAC1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2cccc(Cl)c2Cl)N2CCNCC2)c(OC)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-24-13-6-7-14(17(12-13)25-2)19(23-10-8-22-9-11-23)15-4-3-5-16(20)18(15)21/h3-7,12,19,22H,8-11H2,1-2H3
InChIKeySBNGZDOPHYEYQG-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.01
Rot. Bonds5

About 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine

1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 3600926) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine
PubChem CID3600926
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2cccc(Cl)c2Cl)N2CCNCC2)c(OC)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-24-13-6-7-14(17(12-13)25-2)19(23-10-8-22-9-11-23)15-4-3-5-16(20)18(15)21/h3-7,12,19,22H,8-11H2,1-2H3
InChIKeySBNGZDOPHYEYQG-UHFFFAOYSA-N
XLogP4.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3503340
1-[(2-bromophenyl)-(2,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3490266
1-[(2,4-dimethoxyphenyl)-(2-fluorophenyl)methyl]-1,4-diazepane
CID 5106734
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3712286
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3508845
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3817195
1-[(5-chloro-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3374485
1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine
CID 4738644
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3815031

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine (CID 3600926) is 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(C(c2cccc(Cl)c2Cl)N2CCNCC2)c(OC)c1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is SBNGZDOPHYEYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-24-13-6-7-14(17(12-13)25-2)19(23-10-8-22-9-11-23)15-4-3-5-16(20)18(15)21/h3-7,12,19,22H,8-11H2,1-2H3.
What are the key properties of 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine?
1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 381.30 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3600926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).