4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C25H40FNO2 — CID 134488814

IUPAC4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCCC1CCC(COc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2F)CC1
InChIInChI=1S/C25H40FNO2/c1-6-7-18-8-10-19(11-9-18)17-29-23-13-12-20(14-22(23)26)21-15-24(2,3)27(28)25(4,5)16-21/h12-14,18-19,21,28H,6-11,15-17H2,1-5H3
InChIKeyPQYWSEDHKSLZIR-UHFFFAOYSA-N
MW405.60 g/mol
LogP6.94
Rot. Bonds6

About 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134488814) has the molecular formula C25H40FNO2 and a molecular weight of 405.60 g/mol. Its IUPAC name is 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID134488814
Molecular FormulaC25H40FNO2
Molecular Weight405.60 g/mol
Exact Mass405.30
IUPAC Name4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCCC1CCC(COc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2F)CC1
InChIInChI=1S/C25H40FNO2/c1-6-7-18-8-10-19(11-9-18)17-29-23-13-12-20(14-22(23)26)21-15-24(2,3)27(28)25(4,5)16-21/h12-14,18-19,21,28H,6-11,15-17H2,1-5H3
InChIKeyPQYWSEDHKSLZIR-UHFFFAOYSA-N
XLogP6.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.60
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 134488814) is 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is CCCC1CCC(COc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2F)CC1.
What is the InChIKey of 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is PQYWSEDHKSLZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40FNO2/c1-6-7-18-8-10-19(11-9-18)17-29-23-13-12-20(14-22(23)26)21-15-24(2,3)27(28)25(4,5)16-21/h12-14,18-19,21,28H,6-11,15-17H2,1-5H3.
What are the key properties of 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 405.60 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134488814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).