1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine

C24H27N3O — CID 58057981

IUPAC1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(OC(CN2CCN(c3ccccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O/c1-20-10-12-22(13-11-20)28-23(21-7-3-2-4-8-21)19-26-15-17-27(18-16-26)24-9-5-6-14-25-24/h2-14,23H,15-19H2,1H3
InChIKeyQQBRRXVITYQRON-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.33
Rot. Bonds6

About 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine

1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine (PubChem CID 58057981) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine
PubChem CID58057981
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(OC(CN2CCN(c3ccccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O/c1-20-10-12-22(13-11-20)28-23(21-7-3-2-4-8-21)19-26-15-17-27(18-16-26)24-9-5-6-14-25-24/h2-14,23H,15-19H2,1H3
InChIKeyQQBRRXVITYQRON-UHFFFAOYSA-N
XLogP4.33
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine (CID 58057981) is 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine is Cc1ccc(OC(CN2CCN(c3ccccn3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is QQBRRXVITYQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-20-10-12-22(13-11-20)28-23(21-7-3-2-4-8-21)19-26-15-17-27(18-16-26)24-9-5-6-14-25-24/h2-14,23H,15-19H2,1H3.
What are the key properties of 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine?
1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 373.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 58057981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).