1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine

C27H26N4O — CID 121400771

IUPAC1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
SMILESCOc1ccc(-c2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc2)cc1
InChIInChI=1S/C27H26N4O/c1-32-25-10-8-22(9-11-25)21-4-6-23(7-5-21)27-26(3-2-14-29-27)31-19-17-30(18-20-31)24-12-15-28-16-13-24/h2-16H,17-20H2,1H3
InChIKeyRPXQBWUMUZJERT-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.15
Rot. Bonds5

About 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine

1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine (PubChem CID 121400771) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
PubChem CID121400771
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
SMILESCOc1ccc(-c2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc2)cc1
InChIInChI=1S/C27H26N4O/c1-32-25-10-8-22(9-11-25)21-4-6-23(7-5-21)27-26(3-2-14-29-27)31-19-17-30(18-20-31)24-12-15-28-16-13-24/h2-16H,17-20H2,1H3
InChIKeyRPXQBWUMUZJERT-UHFFFAOYSA-N
XLogP5.15
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine (CID 121400771) is 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine is COc1ccc(-c2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine?
The InChIKey is RPXQBWUMUZJERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-32-25-10-8-22(9-11-25)21-4-6-23(7-5-21)27-26(3-2-14-29-27)31-19-17-30(18-20-31)24-12-15-28-16-13-24/h2-16H,17-20H2,1H3.
What are the key properties of 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine?
1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine has a molecular weight of 422.53 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 121400771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).