4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol

C21H22ClFN2O2 — CID 56616338

IUPAC4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccc(F)cc3)ON2)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-5-3-16(4-6-17)21(26)9-11-25(12-10-21)14-19-13-20(27-24-19)15-1-7-18(23)8-2-15/h1-8,13,20,24,26H,9-12,14H2
InChIKeyDDBBHZHFWKLXLR-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.92
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol (PubChem CID 56616338) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
PubChem CID56616338
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccc(F)cc3)ON2)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-5-3-16(4-6-17)21(26)9-11-25(12-10-21)14-19-13-20(27-24-19)15-1-7-18(23)8-2-15/h1-8,13,20,24,26H,9-12,14H2
InChIKeyDDBBHZHFWKLXLR-UHFFFAOYSA-N
XLogP3.92
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
Dihydrohaloperidol, (S)-
CID 16048564
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)butyl]piperidin-4-ol
CID 57403525
Dihydrohaloperidol, (R)-
CID 24867245
4-(4-Chlorophenyl)-1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 91379597
4-(4-chlorophenyl)-1-[(Z)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol
CID 155514868
4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol
CID 155536713
4-(4-Chlorophenyl)-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol
CID 155541844
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol
CID 118753531
1-[2-(4-Chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 16677312
1-[2-(4-Chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol
CID 16677313
4-(4-Chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-piperidinol
CID 18552686

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol (CID 56616338) is 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccc(F)cc3)ON2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is DDBBHZHFWKLXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-17-5-3-16(4-6-17)21(26)9-11-25(12-10-21)14-19-13-20(27-24-19)15-1-7-18(23)8-2-15/h1-8,13,20,24,26H,9-12,14H2.
What are the key properties of 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 388.87 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 56616338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).