4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C28H39NO3 — CID 134488651

IUPAC4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCOc1ccc(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)cc3)CO2)cc1
InChIInChI=1S/C28H39NO3/c1-6-31-25-14-11-22(12-15-25)26-16-13-23(19-32-26)20-7-9-21(10-8-20)24-17-27(2,3)29(30)28(4,5)18-24/h7-12,14-15,23-24,26,30H,6,13,16-19H2,1-5H3
InChIKeyBXXKEHPQVDCPEW-UHFFFAOYSA-N
MW437.62 g/mol
LogP6.85
Rot. Bonds5

About 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134488651) has the molecular formula C28H39NO3 and a molecular weight of 437.62 g/mol. Its IUPAC name is 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID134488651
Molecular FormulaC28H39NO3
Molecular Weight437.62 g/mol
Exact Mass437.29
IUPAC Name4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCOc1ccc(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)cc3)CO2)cc1
InChIInChI=1S/C28H39NO3/c1-6-31-25-14-11-22(12-15-25)26-16-13-23(19-32-26)20-7-9-21(10-8-20)24-17-27(2,3)29(30)28(4,5)18-24/h7-12,14-15,23-24,26,30H,6,13,16-19H2,1-5H3
InChIKeyBXXKEHPQVDCPEW-UHFFFAOYSA-N
XLogP6.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.62
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 140869824
CID 140869824
4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 134488664
2-(4-ethoxyphenyl)-5-octyloxane
CID 21247751
5-(4-ethoxyphenyl)-2-hexyloxane
CID 21247855
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
5-butyl-2-(4-propoxyphenyl)oxane
CID 21247833
2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane
CID 70936321
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
[4-(4-ethoxyphenyl)-2-methyl-1,3-dioxolan-2-yl]methanamine
CID 82024462
5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole
CID 70672105
4-(4-ethoxyphenyl)piperidine
CID 21495191
(2S,3S)-2-[4-(4-ethoxyphenyl)cyclohexyl]-3-propyloxirane
CID 54232231

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 134488651) is 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is CCOc1ccc(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)cc3)CO2)cc1.
What is the InChIKey of 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is BXXKEHPQVDCPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO3/c1-6-31-25-14-11-22(12-15-25)26-16-13-23(19-32-26)20-7-9-21(10-8-20)24-17-27(2,3)29(30)28(4,5)18-24/h7-12,14-15,23-24,26,30H,6,13,16-19H2,1-5H3.
What are the key properties of 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 437.62 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(4-ethoxyphenyl)oxan-3-yl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134488651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).