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

C21H32FNO — CID 142475060

IUPAC1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine
SMILESCOC1CCN(C(C=C(C)C)CC(C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H32FNO/c1-16(2)14-19(23-12-10-20(24-5)11-13-23)15-21(3,4)17-6-8-18(22)9-7-17/h6-9,14,19-20H,10-13,15H2,1-5H3
InChIKeyOOBMTKWNMKRRFN-UHFFFAOYSA-N
MW333.49 g/mol
LogP4.94
Rot. Bonds6

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

1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine (PubChem CID 142475060) has the molecular formula C21H32FNO and a molecular weight of 333.49 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine
PubChem CID142475060
Molecular FormulaC21H32FNO
Molecular Weight333.49 g/mol
Exact Mass333.25
IUPAC Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine
SMILESCOC1CCN(C(C=C(C)C)CC(C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H32FNO/c1-16(2)14-19(23-12-10-20(24-5)11-13-23)15-21(3,4)17-6-8-18(22)9-7-17/h6-9,14,19-20H,10-13,15H2,1-5H3
InChIKeyOOBMTKWNMKRRFN-UHFFFAOYSA-N
XLogP4.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 54.94
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 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine?
The IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine (CID 142475060) is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine?
The canonical SMILES for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine is COC1CCN(C(C=C(C)C)CC(C)(C)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine?
The InChIKey is OOBMTKWNMKRRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO/c1-16(2)14-19(23-12-10-20(24-5)11-13-23)15-21(3,4)17-6-8-18(22)9-7-17/h6-9,14,19-20H,10-13,15H2,1-5H3.
What are the key properties of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine?
1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine has a molecular weight of 333.49 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-methoxypiperidine is sourced from PubChem (CID 142475060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).