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

C22H30N2O4 — CID 1222695

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(Cc3cccc(OC)c3OC)CC2)cc(OC)c1
InChIInChI=1S/C22H30N2O4/c1-25-19-12-17(13-20(14-19)26-2)15-23-8-10-24(11-9-23)16-18-6-5-7-21(27-3)22(18)28-4/h5-7,12-14H,8-11,15-16H2,1-4H3
InChIKeyYTZREVVYYUAASL-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.04
Rot. Bonds8

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

1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine (PubChem CID 1222695) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine
PubChem CID1222695
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(Cc3cccc(OC)c3OC)CC2)cc(OC)c1
InChIInChI=1S/C22H30N2O4/c1-25-19-12-17(13-20(14-19)26-2)15-23-8-10-24(11-9-23)16-18-6-5-7-21(27-3)22(18)28-4/h5-7,12-14H,8-11,15-16H2,1-4H3
InChIKeyYTZREVVYYUAASL-UHFFFAOYSA-N
XLogP3.04
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine (CID 1222695) is 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine is COc1cc(CN2CCN(Cc3cccc(OC)c3OC)CC2)cc(OC)c1.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine?
The InChIKey is YTZREVVYYUAASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-25-19-12-17(13-20(14-19)26-2)15-23-8-10-24(11-9-23)16-18-6-5-7-21(27-3)22(18)28-4/h5-7,12-14H,8-11,15-16H2,1-4H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine?
1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine has a molecular weight of 386.49 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1222695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).