2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol

C25H27F2N3O — CID 10342243

IUPAC2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol
SMILESOc1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H27F2N3O/c26-21-9-5-19(6-10-21)23(20-7-11-22(27)12-8-20)3-2-14-29-15-17-30(18-16-29)25-24(31)4-1-13-28-25/h1,4-13,23,31H,2-3,14-18H2
InChIKeyIIGSJTDZTYNWMI-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.80
Rot. Bonds7

About 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol

2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol (PubChem CID 10342243) has the molecular formula C25H27F2N3O and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol
PubChem CID10342243
Molecular FormulaC25H27F2N3O
Molecular Weight423.51 g/mol
Exact Mass423.21
IUPAC Name2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol
SMILESOc1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H27F2N3O/c26-21-9-5-19(6-10-21)23(20-7-11-22(27)12-8-20)3-2-14-29-15-17-30(18-16-29)25-24(31)4-1-13-28-25/h1,4-13,23,31H,2-3,14-18H2
InChIKeyIIGSJTDZTYNWMI-UHFFFAOYSA-N
XLogP4.80
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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1-[4-(5-Hydroxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one
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1-[4-(5-Hydroxy-2-pyridinyl)piperazin-1-yl]-3-methyl-3-phenylbutan-1-one
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3-(4-Fluorophenyl)-1-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-3-methylbutan-1-one
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2-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]pyridin-3-ol
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US11135207, Example 28
CID 135137576

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol?
The IUPAC name of 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol (CID 10342243) is 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol.
What is the SMILES notation for 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol?
The canonical SMILES for 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol is Oc1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol?
The InChIKey is IIGSJTDZTYNWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O/c26-21-9-5-19(6-10-21)23(20-7-11-22(27)12-8-20)3-2-14-29-15-17-30(18-16-29)25-24(31)4-1-13-28-25/h1,4-13,23,31H,2-3,14-18H2.
What are the key properties of 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol?
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol has a molecular weight of 423.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridin-3-ol is sourced from PubChem (CID 10342243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).