4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine

C18H27F2NO — CID 134488565

IUPAC4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCCc1cc(F)c(C2CC(C)(C)N(O)C(C)(C)C2)c(F)c1
InChIInChI=1S/C18H27F2NO/c1-6-7-12-8-14(19)16(15(20)9-12)13-10-17(2,3)21(22)18(4,5)11-13/h8-9,13,22H,6-7,10-11H2,1-5H3
InChIKeyWXMXPHFAVSCLGW-UHFFFAOYSA-N
MW311.42 g/mol
LogP5.04
Rot. Bonds3

About 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134488565) has the molecular formula C18H27F2NO and a molecular weight of 311.42 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID134488565
Molecular FormulaC18H27F2NO
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCCc1cc(F)c(C2CC(C)(C)N(O)C(C)(C)C2)c(F)c1
InChIInChI=1S/C18H27F2NO/c1-6-7-12-8-14(19)16(15(20)9-12)13-10-17(2,3)21(22)18(4,5)11-13/h8-9,13,22H,6-7,10-11H2,1-5H3
InChIKeyWXMXPHFAVSCLGW-UHFFFAOYSA-N
XLogP5.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 134488565) is 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine is CCCc1cc(F)c(C2CC(C)(C)N(O)C(C)(C)C2)c(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is WXMXPHFAVSCLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2NO/c1-6-7-12-8-14(19)16(15(20)9-12)13-10-17(2,3)21(22)18(4,5)11-13/h8-9,13,22H,6-7,10-11H2,1-5H3.
What are the key properties of 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 311.42 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-propylphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134488565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).