4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C27H43NO4 — CID 134488664

IUPAC4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCOC1COC(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)cc3)CC2)OC1
InChIInChI=1S/C27H43NO4/c1-6-30-24-17-31-25(32-18-24)22-13-11-20(12-14-22)19-7-9-21(10-8-19)23-15-26(2,3)28(29)27(4,5)16-23/h7-10,20,22-25,29H,6,11-18H2,1-5H3
InChIKeyHILDDKHJRBQQNA-UHFFFAOYSA-N
MW445.64 g/mol
LogP5.86
Rot. Bonds5

About 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134488664) has the molecular formula C27H43NO4 and a molecular weight of 445.64 g/mol. Its IUPAC name is 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID134488664
Molecular FormulaC27H43NO4
Molecular Weight445.64 g/mol
Exact Mass445.32
IUPAC Name4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCOC1COC(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)cc3)CC2)OC1
InChIInChI=1S/C27H43NO4/c1-6-30-24-17-31-25(32-18-24)22-13-11-20(12-14-22)19-7-9-21(10-8-19)23-15-26(2,3)28(29)27(4,5)16-23/h7-10,20,22-25,29H,6,11-18H2,1-5H3
InChIKeyHILDDKHJRBQQNA-UHFFFAOYSA-N
XLogP5.86
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.64
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 134488664) is 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is CCOC1COC(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)cc3)CC2)OC1.
What is the InChIKey of 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is HILDDKHJRBQQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO4/c1-6-30-24-17-31-25(32-18-24)22-13-11-20(12-14-22)19-7-9-21(10-8-19)23-15-26(2,3)28(29)27(4,5)16-23/h7-10,20,22-25,29H,6,11-18H2,1-5H3.
What are the key properties of 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 445.64 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134488664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).