4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C27H41F2NO3 — CID 134488604

IUPAC4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCOC1CCC(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)c(F)c3F)CC2)OC1
InChIInChI=1S/C27H41F2NO3/c1-26(2)14-19(15-27(3,4)30(26)31)22-12-11-21(24(28)25(22)29)17-6-8-18(9-7-17)23-13-10-20(32-5)16-33-23/h11-12,17-20,23,31H,6-10,13-16H2,1-5H3
InChIKeyVRYSWPRHTFFPII-UHFFFAOYSA-N
MW465.63 g/mol
LogP6.56
Rot. Bonds4

About 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134488604) has the molecular formula C27H41F2NO3 and a molecular weight of 465.63 g/mol. Its IUPAC name is 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID134488604
Molecular FormulaC27H41F2NO3
Molecular Weight465.63 g/mol
Exact Mass465.31
IUPAC Name4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCOC1CCC(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)c(F)c3F)CC2)OC1
InChIInChI=1S/C27H41F2NO3/c1-26(2)14-19(15-27(3,4)30(26)31)22-12-11-21(24(28)25(22)29)17-6-8-18(9-7-17)23-13-10-20(32-5)16-33-23/h11-12,17-20,23,31H,6-10,13-16H2,1-5H3
InChIKeyVRYSWPRHTFFPII-UHFFFAOYSA-N
XLogP6.56
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.63
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 134488604) is 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is COC1CCC(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)c(F)c3F)CC2)OC1.
What is the InChIKey of 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is VRYSWPRHTFFPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41F2NO3/c1-26(2)14-19(15-27(3,4)30(26)31)22-12-11-21(24(28)25(22)29)17-6-8-18(9-7-17)23-13-10-20(32-5)16-33-23/h11-12,17-20,23,31H,6-10,13-16H2,1-5H3.
What are the key properties of 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 465.63 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-difluoro-4-[4-(5-methoxyoxan-2-yl)cyclohexyl]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134488604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).