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

C24H27N3O3 — CID 71299325

IUPAC1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
SMILESCOc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3
InChIKeyWFZZPLAPENBNIY-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.85
Rot. Bonds6

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

1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine (PubChem CID 71299325) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
PubChem CID71299325
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
SMILESCOc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3
InChIKeyWFZZPLAPENBNIY-UHFFFAOYSA-N
XLogP3.85
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine?
The IUPAC name of 1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine (CID 71299325) is 1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine.
What is the SMILES notation for 1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine?
The canonical SMILES for 1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine is COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)cc(OC)c1OC.
What is the InChIKey of 1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine?
The InChIKey is WFZZPLAPENBNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-28-22-13-18(14-23(29-2)24(22)30-3)20-12-19(15-26-16-20)17-4-6-21(7-5-17)27-10-8-25-9-11-27/h4-7,12-16,25H,8-11H2,1-3H3.
What are the key properties of 1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine?
1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine has a molecular weight of 405.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine is sourced from PubChem (CID 71299325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).