4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine

C22H34FNO — CID 142475335

IUPAC4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine
SMILESCCOC1CCN(C(C=C(C)C)CC(C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H34FNO/c1-6-25-21-11-13-24(14-12-21)20(15-17(2)3)16-22(4,5)18-7-9-19(23)10-8-18/h7-10,15,20-21H,6,11-14,16H2,1-5H3
InChIKeyVYDBOQREHSXHKK-UHFFFAOYSA-N
MW347.52 g/mol
LogP5.33
Rot. Bonds7

About 4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine

4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine (PubChem CID 142475335) has the molecular formula C22H34FNO and a molecular weight of 347.52 g/mol. Its IUPAC name is 4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine.

Molecular Properties

Compound Name4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine
PubChem CID142475335
Molecular FormulaC22H34FNO
Molecular Weight347.52 g/mol
Exact Mass347.26
IUPAC Name4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine
SMILESCCOC1CCN(C(C=C(C)C)CC(C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H34FNO/c1-6-25-21-11-13-24(14-12-21)20(15-17(2)3)16-22(4,5)18-7-9-19(23)10-8-18/h7-10,15,20-21H,6,11-14,16H2,1-5H3
InChIKeyVYDBOQREHSXHKK-UHFFFAOYSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.52
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine?
The IUPAC name of 4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine (CID 142475335) is 4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine.
What is the SMILES notation for 4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine?
The canonical SMILES for 4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine is CCOC1CCN(C(C=C(C)C)CC(C)(C)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine?
The InChIKey is VYDBOQREHSXHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FNO/c1-6-25-21-11-13-24(14-12-21)20(15-17(2)3)16-22(4,5)18-7-9-19(23)10-8-18/h7-10,15,20-21H,6,11-14,16H2,1-5H3.
What are the key properties of 4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine?
4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine has a molecular weight of 347.52 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine is sourced from PubChem (CID 142475335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).