4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C25H38FNO2 — CID 134489455

IUPAC4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESC/C=C/C1CCC(COc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2F)CC1
InChIInChI=1S/C25H38FNO2/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/h6-7,12-14,18-19,21,28H,8-11,15-17H2,1-5H3/b7-6+
InChIKeyFVAGMIZYORZKQJ-VOTSOKGWSA-N
MW403.58 g/mol
LogP6.71
Rot. Bonds5

About 4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134489455) has the molecular formula C25H38FNO2 and a molecular weight of 403.58 g/mol. Its IUPAC name is 4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID134489455
Molecular FormulaC25H38FNO2
Molecular Weight403.58 g/mol
Exact Mass403.29
IUPAC Name4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESC/C=C/C1CCC(COc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2F)CC1
InChIInChI=1S/C25H38FNO2/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/h6-7,12-14,18-19,21,28H,8-11,15-17H2,1-5H3/b7-6+
InChIKeyFVAGMIZYORZKQJ-VOTSOKGWSA-N
XLogP6.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.58
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 134489455) is 4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is C/C=C/C1CCC(COc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2F)CC1.
What is the InChIKey of 4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is FVAGMIZYORZKQJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C25H38FNO2/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/h6-7,12-14,18-19,21,28H,8-11,15-17H2,1-5H3/b7-6+.
What are the key properties of 4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 403.58 g/mol, XLogP of 6.71, 5 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-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134489455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).