4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine

C29H47NO — CID 134486502

IUPAC4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine
SMILESCCOC1CCC(C2CCC(c3ccc(C4CC(C)(C)NC(C)(C)C4)cc3)CC2)CC1
InChIInChI=1S/C29H47NO/c1-6-31-27-17-15-24(16-18-27)23-9-7-21(8-10-23)22-11-13-25(14-12-22)26-19-28(2,3)30-29(4,5)20-26/h11-14,21,23-24,26-27,30H,6-10,15-20H2,1-5H3
InChIKeyVBVWULPQXMGMMI-UHFFFAOYSA-N
MW425.70 g/mol
LogP7.58
Rot. Bonds5

About 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine

4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 134486502) has the molecular formula C29H47NO and a molecular weight of 425.70 g/mol. Its IUPAC name is 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine
PubChem CID134486502
Molecular FormulaC29H47NO
Molecular Weight425.70 g/mol
Exact Mass425.37
IUPAC Name4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine
SMILESCCOC1CCC(C2CCC(c3ccc(C4CC(C)(C)NC(C)(C)C4)cc3)CC2)CC1
InChIInChI=1S/C29H47NO/c1-6-31-27-17-15-24(16-18-27)23-9-7-21(8-10-23)22-11-13-25(14-12-22)26-19-28(2,3)30-29(4,5)20-26/h11-14,21,23-24,26-27,30H,6-10,15-20H2,1-5H3
InChIKeyVBVWULPQXMGMMI-UHFFFAOYSA-N
XLogP7.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
CID 148800849
4-ethoxy-2,2,7,7-tetramethylazepane
CID 122414797
4-[4-[4-(5-ethoxy-1,3-dioxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 134488664
1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene
CID 21052580
2,2,6,6-tetramethyl-4-phenylpiperidine
CID 11481361
2-ethoxy-6-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868846
(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylcyclohexyl)benzoate
CID 129197866
4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486503
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)cyclohexyl]cyclohexane-1-carboxylate
CID 129197891
4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486506
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
CID 21421702
2-ethoxy-6-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870531

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine (CID 134486502) is 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine is CCOC1CCC(C2CCC(c3ccc(C4CC(C)(C)NC(C)(C)C4)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is VBVWULPQXMGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47NO/c1-6-31-27-17-15-24(16-18-27)23-9-7-21(8-10-23)22-11-13-25(14-12-22)26-19-28(2,3)30-29(4,5)20-26/h11-14,21,23-24,26-27,30H,6-10,15-20H2,1-5H3.
What are the key properties of 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine?
4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 425.70 g/mol, XLogP of 7.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).