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

C19H23ClN2O2 — CID 6456141

IUPAC1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1
InChIInChI=1S/C19H23ClN2O2/c1-23-18-8-3-15(19(13-18)24-2)14-21-9-11-22(12-10-21)17-6-4-16(20)5-7-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBXPJUWCCMJKWIN-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.68
Rot. Bonds5

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

1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 6456141) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
PubChem CID6456141
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1
InChIInChI=1S/C19H23ClN2O2/c1-23-18-8-3-15(19(13-18)24-2)14-21-9-11-22(12-10-21)17-6-4-16(20)5-7-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBXPJUWCCMJKWIN-UHFFFAOYSA-N
XLogP3.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
1-[(2,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2838017
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole
CID 69350318
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 8587506
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801
1-(4-chlorophenyl)-4-[(2-methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperazine
CID 16749249
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine (CID 6456141) is 1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is BXPJUWCCMJKWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-23-18-8-3-15(19(13-18)24-2)14-21-9-11-22(12-10-21)17-6-4-16(20)5-7-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 346.86 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 6456141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).