1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine

C23H31N3O2 — CID 85469055

IUPAC1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine
SMILESCOc1ccc(-c2cc(CC3CCOCC3)nc(N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-25-9-11-26(12-10-25)23-17-20(19-3-5-22(27-2)6-4-19)16-21(24-23)15-18-7-13-28-14-8-18/h3-6,16-18H,7-15H2,1-2H3
InChIKeyPUBRPXUPIQJZBT-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.48
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine

1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine (PubChem CID 85469055) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine
PubChem CID85469055
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine
SMILESCOc1ccc(-c2cc(CC3CCOCC3)nc(N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-25-9-11-26(12-10-25)23-17-20(19-3-5-22(27-2)6-4-19)16-21(24-23)15-18-7-13-28-14-8-18/h3-6,16-18H,7-15H2,1-2H3
InChIKeyPUBRPXUPIQJZBT-UHFFFAOYSA-N
XLogP3.48
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine (CID 85469055) is 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine is COc1ccc(-c2cc(CC3CCOCC3)nc(N3CCN(C)CC3)c2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine?
The InChIKey is PUBRPXUPIQJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-25-9-11-26(12-10-25)23-17-20(19-3-5-22(27-2)6-4-19)16-21(24-23)15-18-7-13-28-14-8-18/h3-6,16-18H,7-15H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine?
1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine has a molecular weight of 381.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 85469055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).