1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine

C25H28FN3O — CID 15016120

IUPAC1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(Cc2ccc(F)cc2)c2ccncc2)CC1
InChIInChI=1S/C25H28FN3O/c1-30-25-5-3-2-4-24(25)29-16-14-28(15-17-29)19-22(21-10-12-27-13-11-21)18-20-6-8-23(26)9-7-20/h2-13,22H,14-19H2,1H3
InChIKeyYKSBJQLFIZFFHZ-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.38
Rot. Bonds7

About 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine

1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 15016120) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine
PubChem CID15016120
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(Cc2ccc(F)cc2)c2ccncc2)CC1
InChIInChI=1S/C25H28FN3O/c1-30-25-5-3-2-4-24(25)29-16-14-28(15-17-29)19-22(21-10-12-27-13-11-21)18-20-6-8-23(26)9-7-20/h2-13,22H,14-19H2,1H3
InChIKeyYKSBJQLFIZFFHZ-UHFFFAOYSA-N
XLogP4.38
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine (CID 15016120) is 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC(Cc2ccc(F)cc2)c2ccncc2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is YKSBJQLFIZFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O/c1-30-25-5-3-2-4-24(25)29-16-14-28(15-17-29)19-22(21-10-12-27-13-11-21)18-20-6-8-23(26)9-7-20/h2-13,22H,14-19H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine?
1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 405.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpropyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 15016120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).