1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine

C35H55NO3 — CID 134486441

IUPAC1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine
SMILESC=CCC/C=C/C1CCC(C2COC(c3ccc(C4CC(C)(C)N(OCCCC)C(C)(C)C4)cc3)OC2)CC1
InChIInChI=1S/C35H55NO3/c1-7-9-11-12-13-27-14-16-29(17-15-27)32-25-37-33(38-26-32)30-20-18-28(19-21-30)31-23-34(3,4)36(35(5,6)24-31)39-22-10-8-2/h7,12-13,18-21,27,29,31-33H,1,8-11,14-17,22-26H2,2-6H3/b13-12+
InChIKeyWBJLYAAQJNWAQP-OUKQBFOZSA-N
MW537.83 g/mol
LogP9.15
Rot. Bonds11

About 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine

1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 134486441) has the molecular formula C35H55NO3 and a molecular weight of 537.83 g/mol. Its IUPAC name is 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine
PubChem CID134486441
Molecular FormulaC35H55NO3
Molecular Weight537.83 g/mol
Exact Mass537.42
IUPAC Name1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine
SMILESC=CCC/C=C/C1CCC(C2COC(c3ccc(C4CC(C)(C)N(OCCCC)C(C)(C)C4)cc3)OC2)CC1
InChIInChI=1S/C35H55NO3/c1-7-9-11-12-13-27-14-16-29(17-15-27)32-25-37-33(38-26-32)30-20-18-28(19-21-30)31-23-34(3,4)36(35(5,6)24-31)39-22-10-8-2/h7,12-13,18-21,27,29,31-33H,1,8-11,14-17,22-26H2,2-6H3/b13-12+
InChIKeyWBJLYAAQJNWAQP-OUKQBFOZSA-N
XLogP9.15
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.83
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]-1,3-dioxane
CID 19019259
4-[4-[4-(4-but-3-enylphenyl)cyclohexyl]cyclohexyl]-1-heptoxy-2,2,6,6-tetramethylpiperidine
CID 134486545
1-ethenoxy-2,2,6,6-tetramethyl-4-[4-[4-[(3E)-octa-3,7-dienyl]phenyl]phenyl]piperidine
CID 134486617
4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine
CID 134486536
1-but-3-enoxy-4-(4-pent-1-enylcyclohexyl)cyclohexane
CID 54280459
1-but-3-enyl-4-[2-fluoro-4-[5-[4-[(E)-prop-1-enyl]cyclohexyl]oxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine
CID 134486421
5-pent-1-enyl-2-(4-propylphenyl)-1,3-dioxane
CID 54332797
N-[2-[4-[4-[5-(4-pentylcyclohexyl)-1,3-dioxan-2-yl]phenyl]cyclohexyl]oxyethyl]prop-2-enamide
CID 135214980
2-(4-pent-4-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780584
4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486503
7-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-3-pentylisochromen-1-one
CID 134190948
5-pentyl-2-[4-[3-(4-propylcyclohexyl)prop-2-enoxy]phenyl]-1,3-dioxane
CID 54201765

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine (CID 134486441) is 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine is C=CCC/C=C/C1CCC(C2COC(c3ccc(C4CC(C)(C)N(OCCCC)C(C)(C)C4)cc3)OC2)CC1.
What is the InChIKey of 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is WBJLYAAQJNWAQP-OUKQBFOZSA-N. The full InChI is InChI=1S/C35H55NO3/c1-7-9-11-12-13-27-14-16-29(17-15-27)32-25-37-33(38-26-32)30-20-18-28(19-21-30)31-23-34(3,4)36(35(5,6)24-31)39-22-10-8-2/h7,12-13,18-21,27,29,31-33H,1,8-11,14-17,22-26H2,2-6H3/b13-12+.
What are the key properties of 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine?
1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 537.83 g/mol, XLogP of 9.15, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[4-[5-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-1,3-dioxan-2-yl]phenyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).