4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol

C23H26ClFN2O5 — CID 54292524

IUPAC4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol
SMILESCC1(c2ccc(F)cc2[N+](=O)[O-])OC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)O1
InChIInChI=1S/C23H26ClFN2O5/c1-22(19-9-8-18(25)15-20(19)27(29)30)31-21(32-22)3-2-12-26-13-10-23(28,11-14-26)16-4-6-17(24)7-5-16/h4-9,15,21,28H,2-3,10-14H2,1H3
InChIKeyRYNAZKXBYXLVMC-UHFFFAOYSA-N
MW464.92 g/mol
LogP4.70
Rot. Bonds7

About 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol (PubChem CID 54292524) has the molecular formula C23H26ClFN2O5 and a molecular weight of 464.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol
PubChem CID54292524
Molecular FormulaC23H26ClFN2O5
Molecular Weight464.92 g/mol
Exact Mass464.15
IUPAC Name4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol
SMILESCC1(c2ccc(F)cc2[N+](=O)[O-])OC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)O1
InChIInChI=1S/C23H26ClFN2O5/c1-22(19-9-8-18(25)15-20(19)27(29)30)31-21(32-22)3-2-12-26-13-10-23(28,11-14-26)16-4-6-17(24)7-5-16/h4-9,15,21,28H,2-3,10-14H2,1H3
InChIKeyRYNAZKXBYXLVMC-UHFFFAOYSA-N
XLogP4.70
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.92
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-(4-fluoro-2-nitrophenyl)-1,3-dioxolan-2-yl]propyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 86735492
4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-(4-fluoro-2-nitrophenyl)butan-1-one
CID 70620740
N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide
CID 21390741
2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorobenzenediazonium chloride
CID 10252564
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol
CID 67743242
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
4-(4-chlorophenyl)-1-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperidin-4-ol;hydrochloride
CID 3040593
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide
CID 174708883
6-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxybutyl]-5-fluorophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 171035170
5-N-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-6-ethyl-2-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxamide
CID 91596289

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol (CID 54292524) is 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol is CC1(c2ccc(F)cc2[N+](=O)[O-])OC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)O1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol?
The InChIKey is RYNAZKXBYXLVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O5/c1-22(19-9-8-18(25)15-20(19)27(29)30)31-21(32-22)3-2-12-26-13-10-23(28,11-14-26)16-4-6-17(24)7-5-16/h4-9,15,21,28H,2-3,10-14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol has a molecular weight of 464.92 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[3-[4-(4-fluoro-2-nitrophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]piperidin-4-ol is sourced from PubChem (CID 54292524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).