1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine

C32H36N4O6 — CID 22485481

IUPAC1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
SMILESCOc1cc(-c2ccc(N3CCN(c4ccc(-c5cc(OC)c(OC)c(OC)c5)nc4)CC3)cn2)cc(OC)c1OC
InChIInChI=1S/C32H36N4O6/c1-37-27-15-21(16-28(38-2)31(27)41-5)25-9-7-23(19-33-25)35-11-13-36(14-12-35)24-8-10-26(34-20-24)22-17-29(39-3)32(42-6)30(18-22)40-4/h7-10,15-20H,11-14H2,1-6H3
InChIKeyFPIOOGPQGVRECV-UHFFFAOYSA-N
MW572.66 g/mol
LogP5.19
Rot. Bonds10

About 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine

1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine (PubChem CID 22485481) has the molecular formula C32H36N4O6 and a molecular weight of 572.66 g/mol. Its IUPAC name is 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
PubChem CID22485481
Molecular FormulaC32H36N4O6
Molecular Weight572.66 g/mol
Exact Mass572.26
IUPAC Name1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
SMILESCOc1cc(-c2ccc(N3CCN(c4ccc(-c5cc(OC)c(OC)c(OC)c5)nc4)CC3)cn2)cc(OC)c1OC
InChIInChI=1S/C32H36N4O6/c1-37-27-15-21(16-28(38-2)31(27)41-5)25-9-7-23(19-33-25)35-11-13-36(14-12-35)24-8-10-26(34-20-24)22-17-29(39-3)32(42-6)30(18-22)40-4/h7-10,15-20H,11-14H2,1-6H3
InChIKeyFPIOOGPQGVRECV-UHFFFAOYSA-N
XLogP5.19
TPSA87.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.66
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine?
The IUPAC name of 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine (CID 22485481) is 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine.
What is the SMILES notation for 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine?
The canonical SMILES for 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine is COc1cc(-c2ccc(N3CCN(c4ccc(-c5cc(OC)c(OC)c(OC)c5)nc4)CC3)cn2)cc(OC)c1OC.
What is the InChIKey of 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine?
The InChIKey is FPIOOGPQGVRECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O6/c1-37-27-15-21(16-28(38-2)31(27)41-5)25-9-7-23(19-33-25)35-11-13-36(14-12-35)24-8-10-26(34-20-24)22-17-29(39-3)32(42-6)30(18-22)40-4/h7-10,15-20H,11-14H2,1-6H3.
What are the key properties of 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine?
1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine has a molecular weight of 572.66 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine is sourced from PubChem (CID 22485481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).