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

C27H32N2O4 — CID 4594062

IUPAC1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1C(c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCNCC1
InChIInChI=1S/C27H32N2O4/c1-30-23-12-8-7-11-22(23)26(29-15-13-28-14-16-29)21-17-24(31-2)27(25(18-21)32-3)33-19-20-9-5-4-6-10-20/h4-12,17-18,26,28H,13-16,19H2,1-3H3
InChIKeyHFYHPDXGEINNHM-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.29
Rot. Bonds9

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

1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine (PubChem CID 4594062) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
PubChem CID4594062
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1C(c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCNCC1
InChIInChI=1S/C27H32N2O4/c1-30-23-12-8-7-11-22(23)26(29-15-13-28-14-16-29)21-17-24(31-2)27(25(18-21)32-3)33-19-20-9-5-4-6-10-20/h4-12,17-18,26,28H,13-16,19H2,1-3H3
InChIKeyHFYHPDXGEINNHM-UHFFFAOYSA-N
XLogP4.29
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3314443
1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3890926
3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3809399
1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3625591
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3321312
1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 5150431
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 7016984

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine (CID 4594062) is 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine is COc1ccccc1C(c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCNCC1.
What is the InChIKey of 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine?
The InChIKey is HFYHPDXGEINNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-30-23-12-8-7-11-22(23)26(29-15-13-28-14-16-29)21-17-24(31-2)27(25(18-21)32-3)33-19-20-9-5-4-6-10-20/h4-12,17-18,26,28H,13-16,19H2,1-3H3.
What are the key properties of 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine?
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine has a molecular weight of 448.56 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4594062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).