1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine

C23H25N3O — CID 1378308

IUPAC1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc(COc2cccc(CN3CCN(c4ccccn4)CC3)c2)cc1
InChIInChI=1S/C23H25N3O/c1-2-7-20(8-3-1)19-27-22-10-6-9-21(17-22)18-25-13-15-26(16-14-25)23-11-4-5-12-24-23/h1-12,17H,13-16,18-19H2
InChIKeyIKWKOVXTRGCSEM-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.98
Rot. Bonds6

About 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine

1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 1378308) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID1378308
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc(COc2cccc(CN3CCN(c4ccccn4)CC3)c2)cc1
InChIInChI=1S/C23H25N3O/c1-2-7-20(8-3-1)19-27-22-10-6-9-21(17-22)18-25-13-15-26(16-14-25)23-11-4-5-12-24-23/h1-12,17H,13-16,18-19H2
InChIKeyIKWKOVXTRGCSEM-UHFFFAOYSA-N
XLogP3.98
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (CID 1378308) is 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is c1ccc(COc2cccc(CN3CCN(c4ccccn4)CC3)c2)cc1.
What is the InChIKey of 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is IKWKOVXTRGCSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-7-20(8-3-1)19-27-22-10-6-9-21(17-22)18-25-13-15-26(16-14-25)23-11-4-5-12-24-23/h1-12,17H,13-16,18-19H2.
What are the key properties of 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 359.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 1378308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).