(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate

C33H47NO3 — CID 163298209

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate
SMILESCC1CCC(c2ccc(-c3ccc(OCCCC(=O)OC4CC(C)(C)N(C)C(C)(C)C4)cc3)cc2)CC1
InChIInChI=1S/C33H47NO3/c1-24-9-11-25(12-10-24)26-13-15-27(16-14-26)28-17-19-29(20-18-28)36-21-7-8-31(35)37-30-22-32(2,3)34(6)33(4,5)23-30/h13-20,24-25,30H,7-12,21-23H2,1-6H3
InChIKeyXSLIBEDDXCIVLQ-UHFFFAOYSA-N
MW505.74 g/mol
LogP8.00
Rot. Bonds8

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate (PubChem CID 163298209) has the molecular formula C33H47NO3 and a molecular weight of 505.74 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate
PubChem CID163298209
Molecular FormulaC33H47NO3
Molecular Weight505.74 g/mol
Exact Mass505.36
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate
SMILESCC1CCC(c2ccc(-c3ccc(OCCCC(=O)OC4CC(C)(C)N(C)C(C)(C)C4)cc3)cc2)CC1
InChIInChI=1S/C33H47NO3/c1-24-9-11-25(12-10-24)26-13-15-27(16-14-26)28-17-19-29(20-18-28)36-21-7-8-31(35)37-30-22-32(2,3)34(6)33(4,5)23-30/h13-20,24-25,30H,7-12,21-23H2,1-6H3
InChIKeyXSLIBEDDXCIVLQ-UHFFFAOYSA-N
XLogP8.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.74
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate 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

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486503
tert-butyl 4-(4-cyclopropylphenoxy)butanoate
CID 163225140
[4-(4-methylcyclohexyl)phenyl] butanoate
CID 163951339
1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene
CID 59499066
4-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-[8-[4-[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenoxy]carbonylphenoxy]octyl] butanedioate
CID 58030561
4-oxo-4-[6-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]hexoxy]butanoic acid
CID 162775623
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate
CID 59107242
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
4-[4-[4-(4-butoxyphenyl)cyclohexyl]cyclohexyl]-2,2,6,6-tetramethyl-1-[(E)-prop-1-enoxy]piperidine
CID 134486536
6-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenoxy]hexyl prop-2-enoate
CID 161214482
4-(4-butoxyphenyl)cyclohexane-1-carboxylic acid
CID 56638920

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate (CID 163298209) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate is CC1CCC(c2ccc(-c3ccc(OCCCC(=O)OC4CC(C)(C)N(C)C(C)(C)C4)cc3)cc2)CC1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate?
The InChIKey is XSLIBEDDXCIVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47NO3/c1-24-9-11-25(12-10-24)26-13-15-27(16-14-26)28-17-19-29(20-18-28)36-21-7-8-31(35)37-30-22-32(2,3)34(6)33(4,5)23-30/h13-20,24-25,30H,7-12,21-23H2,1-6H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate has a molecular weight of 505.74 g/mol, XLogP of 8.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate is sourced from PubChem (CID 163298209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).