4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine

C23H34FNO — CID 134486670

IUPAC4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESC=CC/C=C/CCc1ccc(C2CC(C)(C)N(OC)C(C)(C)C2)c(F)c1
InChIInChI=1S/C23H34FNO/c1-7-8-9-10-11-12-18-13-14-20(21(24)15-18)19-16-22(2,3)25(26-6)23(4,5)17-19/h7,9-10,13-15,19H,1,8,11-12,16-17H2,2-6H3/b10-9+
InChIKeySXZPBWXVNFYIIX-MDZDMXLPSA-N
MW359.53 g/mol
LogP6.19
Rot. Bonds7

About 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine

4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134486670) has the molecular formula C23H34FNO and a molecular weight of 359.53 g/mol. Its IUPAC name is 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
PubChem CID134486670
Molecular FormulaC23H34FNO
Molecular Weight359.53 g/mol
Exact Mass359.26
IUPAC Name4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESC=CC/C=C/CCc1ccc(C2CC(C)(C)N(OC)C(C)(C)C2)c(F)c1
InChIInChI=1S/C23H34FNO/c1-7-8-9-10-11-12-18-13-14-20(21(24)15-18)19-16-22(2,3)25(26-6)23(4,5)17-19/h7,9-10,13-15,19H,1,8,11-12,16-17H2,2-6H3/b10-9+
InChIKeySXZPBWXVNFYIIX-MDZDMXLPSA-N
XLogP6.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.53
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-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-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine (CID 134486670) is 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine is C=CC/C=C/CCc1ccc(C2CC(C)(C)N(OC)C(C)(C)C2)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is SXZPBWXVNFYIIX-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H34FNO/c1-7-8-9-10-11-12-18-13-14-20(21(24)15-18)19-16-22(2,3)25(26-6)23(4,5)17-19/h7,9-10,13-15,19H,1,8,11-12,16-17H2,2-6H3/b10-9+.
What are the key properties of 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 359.53 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[(3E)-hepta-3,6-dienyl]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).