1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine

C29H29N3O2 — CID 171491745

IUPAC1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine
SMILESc1ccc(COc2ccc(-c3ccc(N4CCNCC4)cc3)c(OCc3ccccc3)n2)cc1
InChIInChI=1S/C29H29N3O2/c1-3-7-23(8-4-1)21-33-28-16-15-27(29(31-28)34-22-24-9-5-2-6-10-24)25-11-13-26(14-12-25)32-19-17-30-18-20-32/h1-16,30H,17-22H2
InChIKeyWISVIQVXEPPXHT-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.32
Rot. Bonds8

About 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine

1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine (PubChem CID 171491745) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine
PubChem CID171491745
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine
SMILESc1ccc(COc2ccc(-c3ccc(N4CCNCC4)cc3)c(OCc3ccccc3)n2)cc1
InChIInChI=1S/C29H29N3O2/c1-3-7-23(8-4-1)21-33-28-16-15-27(29(31-28)34-22-24-9-5-2-6-10-24)25-11-13-26(14-12-25)32-19-17-30-18-20-32/h1-16,30H,17-22H2
InChIKeyWISVIQVXEPPXHT-UHFFFAOYSA-N
XLogP5.32
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine?
The IUPAC name of 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine (CID 171491745) is 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine.
What is the SMILES notation for 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine?
The canonical SMILES for 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine is c1ccc(COc2ccc(-c3ccc(N4CCNCC4)cc3)c(OCc3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine?
The InChIKey is WISVIQVXEPPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-3-7-23(8-4-1)21-33-28-16-15-27(29(31-28)34-22-24-9-5-2-6-10-24)25-11-13-26(14-12-25)32-19-17-30-18-20-32/h1-16,30H,17-22H2.
What are the key properties of 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine?
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine has a molecular weight of 451.57 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine is sourced from PubChem (CID 171491745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).