1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

C20H25ClN2O3 — CID 1377242

IUPAC1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H25ClN2O3/c1-24-18-11-15(12-19(25-2)20(18)26-3)14-22-7-9-23(10-8-22)17-6-4-5-16(21)13-17/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyOZZZZNWJPKCYDI-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.69
Rot. Bonds6

About 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 1377242) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID1377242
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H25ClN2O3/c1-24-18-11-15(12-19(25-2)20(18)26-3)14-22-7-9-23(10-8-22)17-6-4-5-16(21)13-17/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyOZZZZNWJPKCYDI-UHFFFAOYSA-N
XLogP3.69
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Mefeclorazine
CID 3064105
(4-(3-Chlorophenyl)piperazin-1-yl)(4-methoxyphenyl)methanethione
CID 269707
1,3-Diphenyl-2-(3,4,5-trimethoxyphenyl)imidazolidine
CID 292557
1-(2,5-Dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1265525
4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride
CID 373799
1-(2-Methoxyphenyl)-4-(2,3,4-trimethoxybenzyl)piperazine
CID 1377123
Piperazine, 1-(o-chlorophenyl)-4-(3,4,5-trimethoxyhydrocinnamoyl)-
CID 64853
Piperazine, 1-(2-methylphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-
CID 1377353
[4-(2-Chlorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanethione
CID 259084
1-(2-Methoxyphenyl)-4-(2,4,5-trimethoxybenzyl)piperazine
CID 1376842
1-(4-Fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1376934
3-(3-Chlorophenyl)-1-(3-methoxypropyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 2803722

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 1377242) is 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is OZZZZNWJPKCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-24-18-11-15(12-19(25-2)20(18)26-3)14-22-7-9-23(10-8-22)17-6-4-5-16(21)13-17/h4-6,11-13H,7-10,14H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 376.88 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1377242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).