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

C21H26Cl2N2O2 — CID 5216730

IUPAC1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(C(c2ccc(Cl)c(Cl)c2)N2CCNCC2)cc1OCC
InChIInChI=1S/C21H26Cl2N2O2/c1-3-26-19-8-6-16(14-20(19)27-4-2)21(25-11-9-24-10-12-25)15-5-7-17(22)18(23)13-15/h5-8,13-14,21,24H,3-4,9-12H2,1-2H3
InChIKeyOEZCXNQSQNZIMT-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.79
Rot. Bonds7

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

1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine (PubChem CID 5216730) has the molecular formula C21H26Cl2N2O2 and a molecular weight of 409.36 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
PubChem CID5216730
Molecular FormulaC21H26Cl2N2O2
Molecular Weight409.36 g/mol
Exact Mass408.14
IUPAC Name1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(C(c2ccc(Cl)c(Cl)c2)N2CCNCC2)cc1OCC
InChIInChI=1S/C21H26Cl2N2O2/c1-3-26-19-8-6-16(14-20(19)27-4-2)21(25-11-9-24-10-12-25)15-5-7-17(22)18(23)13-15/h5-8,13-14,21,24H,3-4,9-12H2,1-2H3
InChIKeyOEZCXNQSQNZIMT-UHFFFAOYSA-N
XLogP4.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3938650
1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 4037248
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3826604
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3580291
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 4213882
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145
1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 5211514

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine (CID 5216730) is 1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine is CCOc1ccc(C(c2ccc(Cl)c(Cl)c2)N2CCNCC2)cc1OCC.
What is the InChIKey of 1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine?
The InChIKey is OEZCXNQSQNZIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O2/c1-3-26-19-8-6-16(14-20(19)27-4-2)21(25-11-9-24-10-12-25)15-5-7-17(22)18(23)13-15/h5-8,13-14,21,24H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine?
1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine has a molecular weight of 409.36 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 5216730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).