2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol

C22H22FN3O — CID 70248320

IUPAC2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2cc(-c3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C22H22FN3O/c23-19-7-5-17(6-8-19)18-9-10-24-20(15-18)16-25-11-13-26(14-12-25)21-3-1-2-4-22(21)27/h1-10,15,27H,11-14,16H2
InChIKeyYTRWBOLNHRMOCD-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.92
Rot. Bonds4

About 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol

2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol (PubChem CID 70248320) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol
PubChem CID70248320
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2cc(-c3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C22H22FN3O/c23-19-7-5-17(6-8-19)18-9-10-24-20(15-18)16-25-11-13-26(14-12-25)21-3-1-2-4-22(21)27/h1-10,15,27H,11-14,16H2
InChIKeyYTRWBOLNHRMOCD-UHFFFAOYSA-N
XLogP3.92
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol (CID 70248320) is 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(Cc2cc(-c3ccc(F)cc3)ccn2)CC1.
What is the InChIKey of 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol?
The InChIKey is YTRWBOLNHRMOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-7-5-17(6-8-19)18-9-10-24-20(15-18)16-25-11-13-26(14-12-25)21-3-1-2-4-22(21)27/h1-10,15,27H,11-14,16H2.
What are the key properties of 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol?
2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol has a molecular weight of 363.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 70248320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).