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

C20H25ClN2O2 — CID 23295851

IUPAC1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3cccc(C)c3Cl)CC2)cc1OC
InChIInChI=1S/C20H25ClN2O2/c1-15-5-4-6-17(20(15)21)23-11-9-22(10-12-23)14-16-7-8-18(24-2)19(13-16)25-3/h4-8,13H,9-12,14H2,1-3H3
InChIKeyQIRVGFOGJALBPJ-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.99
Rot. Bonds5

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

1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 23295851) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
PubChem CID23295851
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3cccc(C)c3Cl)CC2)cc1OC
InChIInChI=1S/C20H25ClN2O2/c1-15-5-4-6-17(20(15)21)23-11-9-22(10-12-23)14-16-7-8-18(24-2)19(13-16)25-3/h4-8,13H,9-12,14H2,1-3H3
InChIKeyQIRVGFOGJALBPJ-UHFFFAOYSA-N
XLogP3.99
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine (CID 23295851) is 1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(c3cccc(C)c3Cl)CC2)cc1OC.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is QIRVGFOGJALBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-15-5-4-6-17(20(15)21)23-11-9-22(10-12-23)14-16-7-8-18(24-2)19(13-16)25-3/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 360.89 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 23295851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).