1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine

C20H25ClN2O2 — CID 4618691

IUPAC1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(C(c2cccc(Cl)c2)N2CCNCC2)cc1OC
InChIInChI=1S/C20H25ClN2O2/c1-3-25-18-8-7-16(14-19(18)24-2)20(23-11-9-22-10-12-23)15-5-4-6-17(21)13-15/h4-8,13-14,20,22H,3,9-12H2,1-2H3
InChIKeyOFMGAEFVMAHRGM-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.74
Rot. Bonds6

About 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine

1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine (PubChem CID 4618691) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
PubChem CID4618691
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(C(c2cccc(Cl)c2)N2CCNCC2)cc1OC
InChIInChI=1S/C20H25ClN2O2/c1-3-25-18-8-7-16(14-19(18)24-2)20(23-11-9-22-10-12-23)15-5-4-6-17(21)13-15/h4-8,13-14,20,22H,3,9-12H2,1-2H3
InChIKeyOFMGAEFVMAHRGM-UHFFFAOYSA-N
XLogP3.74
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3580291
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(4-ethoxy-3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3804047
1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3826604
1-[(4-ethoxy-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 5211514
1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5216730
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(4-ethoxy-3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3829582
1-[(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4586881
1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine (CID 4618691) is 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine is CCOc1ccc(C(c2cccc(Cl)c2)N2CCNCC2)cc1OC.
What is the InChIKey of 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine?
The InChIKey is OFMGAEFVMAHRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-3-25-18-8-7-16(14-19(18)24-2)20(23-11-9-22-10-12-23)15-5-4-6-17(21)13-15/h4-8,13-14,20,22H,3,9-12H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine?
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine has a molecular weight of 360.89 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4618691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).