1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine

C22H22BrN3O — CID 70239064

IUPAC1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine
SMILESBrc1ccc(N2CCN(c3ccncc3)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C22H22BrN3O/c23-19-6-7-21(22(16-19)27-17-18-4-2-1-3-5-18)26-14-12-25(13-15-26)20-8-10-24-11-9-20/h1-11,16H,12-15,17H2
InChIKeyQAENEXNCLNLXCC-UHFFFAOYSA-N
MW424.34 g/mol
LogP4.75
Rot. Bonds5

About 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine

1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine (PubChem CID 70239064) has the molecular formula C22H22BrN3O and a molecular weight of 424.34 g/mol. Its IUPAC name is 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine
PubChem CID70239064
Molecular FormulaC22H22BrN3O
Molecular Weight424.34 g/mol
Exact Mass423.09
IUPAC Name1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine
SMILESBrc1ccc(N2CCN(c3ccncc3)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C22H22BrN3O/c23-19-6-7-21(22(16-19)27-17-18-4-2-1-3-5-18)26-14-12-25(13-15-26)20-8-10-24-11-9-20/h1-11,16H,12-15,17H2
InChIKeyQAENEXNCLNLXCC-UHFFFAOYSA-N
XLogP4.75
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine (CID 70239064) is 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine is Brc1ccc(N2CCN(c3ccncc3)CC2)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine?
The InChIKey is QAENEXNCLNLXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O/c23-19-6-7-21(22(16-19)27-17-18-4-2-1-3-5-18)26-14-12-25(13-15-26)20-8-10-24-11-9-20/h1-11,16H,12-15,17H2.
What are the key properties of 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine?
1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine has a molecular weight of 424.34 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 70239064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).