1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine

C28H34N2O5 — CID 3314443

IUPAC1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1cc(C(c2c(OC)cccc2OC)N2CCNCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C28H34N2O5/c1-31-22-11-8-12-23(32-2)26(22)27(30-15-13-29-14-16-30)21-17-24(33-3)28(25(18-21)34-4)35-19-20-9-6-5-7-10-20/h5-12,17-18,27,29H,13-16,19H2,1-4H3
InChIKeyZAIDCMSXHKTPPH-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.29
Rot. Bonds10

About 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine

1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 3314443) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID3314443
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1cc(C(c2c(OC)cccc2OC)N2CCNCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C28H34N2O5/c1-31-22-11-8-12-23(32-2)26(22)27(30-15-13-29-14-16-30)21-17-24(33-3)28(25(18-21)34-4)35-19-20-9-6-5-7-10-20/h5-12,17-18,27,29H,13-16,19H2,1-4H3
InChIKeyZAIDCMSXHKTPPH-UHFFFAOYSA-N
XLogP4.29
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 4594062
3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3809399
1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 5150431
1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 7016984
1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3890926
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3625591
1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171304822
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3321312
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine (CID 3314443) is 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine is COc1cc(C(c2c(OC)cccc2OC)N2CCNCC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is ZAIDCMSXHKTPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-31-22-11-8-12-23(32-2)26(22)27(30-15-13-29-14-16-30)21-17-24(33-3)28(25(18-21)34-4)35-19-20-9-6-5-7-10-20/h5-12,17-18,27,29H,13-16,19H2,1-4H3.
What are the key properties of 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine?
1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 478.59 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3314443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).