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

C30H42FNO — CID 134486506

IUPAC4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCOC1CCC(c2ccc(-c3ccc(C4CC(C)(C)N(C)C(C)(C)C4)c(F)c3)cc2)CC1
InChIInChI=1S/C30H42FNO/c1-7-33-26-15-12-22(13-16-26)21-8-10-23(11-9-21)24-14-17-27(28(31)18-24)25-19-29(2,3)32(6)30(4,5)20-25/h8-11,14,17-18,22,25-26H,7,12-13,15-16,19-20H2,1-6H3
InChIKeyASUMTGCCKZXDPD-UHFFFAOYSA-N
MW451.67 g/mol
LogP7.92
Rot. Bonds5

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

4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine (PubChem CID 134486506) has the molecular formula C30H42FNO and a molecular weight of 451.67 g/mol. Its IUPAC name is 4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine
PubChem CID134486506
Molecular FormulaC30H42FNO
Molecular Weight451.67 g/mol
Exact Mass451.33
IUPAC Name4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCOC1CCC(c2ccc(-c3ccc(C4CC(C)(C)N(C)C(C)(C)C4)c(F)c3)cc2)CC1
InChIInChI=1S/C30H42FNO/c1-7-33-26-15-12-22(13-16-26)21-8-10-23(11-9-21)24-14-17-27(28(31)18-24)25-19-29(2,3)32(6)30(4,5)20-25/h8-11,14,17-18,22,25-26H,7,12-13,15-16,19-20H2,1-6H3
InChIKeyASUMTGCCKZXDPD-UHFFFAOYSA-N
XLogP7.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.67
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486503
1-but-3-enyl-4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-2,2,6,6-tetramethylpiperidine
CID 134486608
4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486646
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,3-difluorobenzene
CID 59329733
1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
CID 138459505
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
5-[4-(4-ethoxycyclohexyl)phenyl]-1,3-difluoro-2-[(2S)-2-phenylpropyl]benzene
CID 58698515
4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine
CID 134486502
4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene
CID 139749265
2-[[4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]cyclohexyl]oxymethoxymethyl]oxirane
CID 59791128

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine?
The IUPAC name of 4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine (CID 134486506) is 4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine.
What is the SMILES notation for 4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine?
The canonical SMILES for 4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine is CCOC1CCC(c2ccc(-c3ccc(C4CC(C)(C)N(C)C(C)(C)C4)c(F)c3)cc2)CC1.
What is the InChIKey of 4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine?
The InChIKey is ASUMTGCCKZXDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FNO/c1-7-33-26-15-12-22(13-16-26)21-8-10-23(11-9-21)24-14-17-27(28(31)18-24)25-19-29(2,3)32(6)30(4,5)20-25/h8-11,14,17-18,22,25-26H,7,12-13,15-16,19-20H2,1-6H3.
What are the key properties of 4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine?
4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine has a molecular weight of 451.67 g/mol, XLogP of 7.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-ethoxycyclohexyl)phenyl]-2-fluorophenyl]-1,2,2,6,6-pentamethylpiperidine is sourced from PubChem (CID 134486506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).