[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate

C27H43NO3 — CID 134486581

IUPAC[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2)CC1
InChIInChI=1S/C27H43NO3/c1-7-8-9-20-10-12-22(13-11-20)25(29)31-24-16-14-21(15-17-24)23-18-26(2,3)28(30-6)27(4,5)19-23/h14-17,20,22-23H,7-13,18-19H2,1-6H3
InChIKeyUIIBOYSJABIDQZ-UHFFFAOYSA-N
MW429.65 g/mol
LogP6.89
Rot. Bonds7

About [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate

[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate (PubChem CID 134486581) has the molecular formula C27H43NO3 and a molecular weight of 429.65 g/mol. Its IUPAC name is [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate
PubChem CID134486581
Molecular FormulaC27H43NO3
Molecular Weight429.65 g/mol
Exact Mass429.32
IUPAC Name[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2)CC1
InChIInChI=1S/C27H43NO3/c1-7-8-9-20-10-12-22(13-11-20)25(29)31-24-16-14-21(15-17-24)23-18-26(2,3)28(30-6)27(4,5)19-23/h14-17,20,22-23H,7-13,18-19H2,1-6H3
InChIKeyUIIBOYSJABIDQZ-UHFFFAOYSA-N
XLogP6.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
[4-(4-methylcyclohexyl)phenyl] 4-butylcyclohexane-1-carboxylate
CID 23334749
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CID 170898859
[4-(4-ethylcyclohexyl)phenyl] 4-hexylcyclohexane-1-carboxylate
CID 23334605
(4-methoxyphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 23334967
[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
CID 70598371
(4-formylphenyl) 4-butylcyclohexane-1-carboxylate
CID 15681123
[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl] 4-hexylcyclohexane-1-carboxylate
CID 59931518
pentakis((4-sulfanylphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate);pentahydrofluoride
CID 173376225
(4-pentanoyloxyphenyl) 4-pentylcyclohexane-1-carboxylate
CID 71328341
(4-dodecoxyphenyl) 4-pentylcyclohexane-1-carboxylate
CID 58240512
4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
CID 134486645

Frequently Asked Questions

What is the IUPAC name of [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate?
The IUPAC name of [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate (CID 134486581) is [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate is CCCCC1CCC(C(=O)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2)CC1.
What is the InChIKey of [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate?
The InChIKey is UIIBOYSJABIDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO3/c1-7-8-9-20-10-12-22(13-11-20)25(29)31-24-16-14-21(15-17-24)23-18-26(2,3)28(30-6)27(4,5)19-23/h14-17,20,22-23H,7-13,18-19H2,1-6H3.
What are the key properties of [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate?
[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate has a molecular weight of 429.65 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 134486581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).