4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine

C32H47NO — CID 134486503

IUPAC4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCCCOC1CCC(c2ccc(-c3ccc(C4CC(C)(C)N(C)C(C)(C)C4)cc3)cc2)CC1
InChIInChI=1S/C32H47NO/c1-7-8-21-34-30-19-17-27(18-20-30)26-11-9-24(10-12-26)25-13-15-28(16-14-25)29-22-31(2,3)33(6)32(4,5)23-29/h9-16,27,29-30H,7-8,17-23H2,1-6H3
InChIKeyFCFVGVZUDHDUBG-UHFFFAOYSA-N
MW461.73 g/mol
LogP8.56
Rot. Bonds7

About 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine

4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine (PubChem CID 134486503) has the molecular formula C32H47NO and a molecular weight of 461.73 g/mol. Its IUPAC name is 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
PubChem CID134486503
Molecular FormulaC32H47NO
Molecular Weight461.73 g/mol
Exact Mass461.37
IUPAC Name4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCCCOC1CCC(c2ccc(-c3ccc(C4CC(C)(C)N(C)C(C)(C)C4)cc3)cc2)CC1
InChIInChI=1S/C32H47NO/c1-7-8-21-34-30-19-17-27(18-20-30)26-11-9-24(10-12-26)25-13-15-28(16-14-25)29-22-31(2,3)33(6)32(4,5)23-29/h9-16,27,29-30H,7-8,17-23H2,1-6H3
InChIKeyFCFVGVZUDHDUBG-UHFFFAOYSA-N
XLogP8.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.73
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486506
4-[4-(4-decoxycyclohexyl)phenyl]benzonitrile
CID 21318459
(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]butanoate
CID 163298209
4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486589
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
1,3-difluoro-5-(4-methylphenyl)-2-[3-[4-(4-pentoxyphenyl)cyclohexyl]oxypropoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 91318922
4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine
CID 134486502

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine?
The IUPAC name of 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine (CID 134486503) is 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine.
What is the SMILES notation for 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine?
The canonical SMILES for 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine is CCCCOC1CCC(c2ccc(-c3ccc(C4CC(C)(C)N(C)C(C)(C)C4)cc3)cc2)CC1.
What is the InChIKey of 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine?
The InChIKey is FCFVGVZUDHDUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47NO/c1-7-8-21-34-30-19-17-27(18-20-30)26-11-9-24(10-12-26)25-13-15-28(16-14-25)29-22-31(2,3)33(6)32(4,5)23-29/h9-16,27,29-30H,7-8,17-23H2,1-6H3.
What are the key properties of 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine?
4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine has a molecular weight of 461.73 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine is sourced from PubChem (CID 134486503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).