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

C24H27N3O2 — CID 1376354

IUPAC1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C24H27N3O2/c1-28-22-11-10-21(17-23(22)29-19-20-7-3-2-4-8-20)18-26-13-15-27(16-14-26)24-9-5-6-12-25-24/h2-12,17H,13-16,18-19H2,1H3
InChIKeyNJSCBCNYQNEEFZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.99
Rot. Bonds7

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

1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 1376354) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID1376354
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C24H27N3O2/c1-28-22-11-10-21(17-23(22)29-19-20-7-3-2-4-8-20)18-26-13-15-27(16-14-26)24-9-5-6-12-25-24/h2-12,17H,13-16,18-19H2,1H3
InChIKeyNJSCBCNYQNEEFZ-UHFFFAOYSA-N
XLogP3.99
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (CID 1376354) is 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is COc1ccc(CN2CCN(c3ccccn3)CC2)cc1OCc1ccccc1.
What is the InChIKey of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is NJSCBCNYQNEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-28-22-11-10-21(17-23(22)29-19-20-7-3-2-4-8-20)18-26-13-15-27(16-14-26)24-9-5-6-12-25-24/h2-12,17H,13-16,18-19H2,1H3.
What are the key properties of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 389.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 1376354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).