2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol

C21H19F2N3O — CID 122186029

IUPAC2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2-c2ccc(N3CCNCC3)cc2)cc1F
InChIInChI=1S/C21H19F2N3O/c22-19-11-15(12-20(23)21(19)27)18-13-25-6-5-17(18)14-1-3-16(4-2-14)26-9-7-24-8-10-26/h1-6,11-13,24,27H,7-10H2
InChIKeyVAMWJMVATUYTLB-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.81
Rot. Bonds3

About 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol

2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol (PubChem CID 122186029) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol
PubChem CID122186029
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2-c2ccc(N3CCNCC3)cc2)cc1F
InChIInChI=1S/C21H19F2N3O/c22-19-11-15(12-20(23)21(19)27)18-13-25-6-5-17(18)14-1-3-16(4-2-14)26-9-7-24-8-10-26/h1-6,11-13,24,27H,7-10H2
InChIKeyVAMWJMVATUYTLB-UHFFFAOYSA-N
XLogP3.81
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol (CID 122186029) is 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol is Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCNCC3)cc2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol?
The InChIKey is VAMWJMVATUYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c22-19-11-15(12-20(23)21(19)27)18-13-25-6-5-17(18)14-1-3-16(4-2-14)26-9-7-24-8-10-26/h1-6,11-13,24,27H,7-10H2.
What are the key properties of 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol?
2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol has a molecular weight of 367.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 122186029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).