4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine

C22H28FNO — CID 129205880

IUPAC4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(c2ccc(C3C=CC=CC=C3)c(F)c2)CC(C)(C)N1O
InChIInChI=1S/C22H28FNO/c1-21(2)14-18(15-22(3,4)24(21)25)17-11-12-19(20(23)13-17)16-9-7-5-6-8-10-16/h5-13,16,18,25H,14-15H2,1-4H3
InChIKeyQLGHZUABSREKLC-UHFFFAOYSA-N
MW341.47 g/mol
LogP5.72
Rot. Bonds2

About 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 129205880) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID129205880
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC Name4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(c2ccc(C3C=CC=CC=C3)c(F)c2)CC(C)(C)N1O
InChIInChI=1S/C22H28FNO/c1-21(2)14-18(15-22(3,4)24(21)25)17-11-12-19(20(23)13-17)16-9-7-5-6-8-10-16/h5-13,16,18,25H,14-15H2,1-4H3
InChIKeyQLGHZUABSREKLC-UHFFFAOYSA-N
XLogP5.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 129205880) is 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine is CC1(C)CC(c2ccc(C3C=CC=CC=C3)c(F)c2)CC(C)(C)N1O.
What is the InChIKey of 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is QLGHZUABSREKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c1-21(2)14-18(15-22(3,4)24(21)25)17-11-12-19(20(23)13-17)16-9-7-5-6-8-10-16/h5-13,16,18,25H,14-15H2,1-4H3.
What are the key properties of 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 341.47 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohepta-2,4,6-trien-1-yl-3-fluorophenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 129205880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).