1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine

C19H23ClN2O2 — CID 792562

IUPAC1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(CN2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H23ClN2O2/c1-23-16-7-8-19(24-2)15(13-16)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3
InChIKeyOIMRENCWUYMGSG-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.68
Rot. Bonds5

About 1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine

1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine (PubChem CID 792562) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine
PubChem CID792562
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(CN2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H23ClN2O2/c1-23-16-7-8-19(24-2)15(13-16)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3
InChIKeyOIMRENCWUYMGSG-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

N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)methanimine
CID 6879861
Mefeclorazine
CID 3064105
1-(4-Chlorophenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 10597050
1-(4-Chlorophenyl)-4-[4-(3-methoxyphenyl)butyl]piperazine
CID 10737150
[4-(2-Chlorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanethione
CID 259084
Cambridge id 5411429
CID 782011
Cambridge id 5417758
CID 782220
1-[3-(2-Methoxyphenyl)-2-propen-1-yl]-4-phenylpiperazine
CID 783076
N'-(3-chlorophenyl)-N-(2,5-dimethoxybenzyl)-N-[2-(4-morpholinyl)ethyl]urea
CID 1002240
1-(4-Chloro-phenyl)-4-[3-(4-methoxy-phenoxy)-3-phenyl-propyl]-piperazine
CID 10765404
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 10832341
1-(3-Chloro-phenyl)-4-[3-(6-methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-piperazine
CID 14978225

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine (CID 792562) is 1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine is COc1ccc(OC)c(CN2CCN(c3ccccc3Cl)CC2)c1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The InChIKey is OIMRENCWUYMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-23-16-7-8-19(24-2)15(13-16)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
1-(2-chlorophenyl)-4-[(2,5-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-(2-chlorophenyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 792562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).