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

C20H30FN — CID 142475064

IUPAC1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C20H30FN/c1-16(2)14-19(22-12-6-5-7-13-22)15-20(3,4)17-8-10-18(21)11-9-17/h8-11,14,19H,5-7,12-13,15H2,1-4H3
InChIKeyFWGSRIPUTIXFAZ-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.31
Rot. Bonds5

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

1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine (PubChem CID 142475064) has the molecular formula C20H30FN and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine
PubChem CID142475064
Molecular FormulaC20H30FN
Molecular Weight303.47 g/mol
Exact Mass303.24
IUPAC Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C20H30FN/c1-16(2)14-19(22-12-6-5-7-13-22)15-20(3,4)17-8-10-18(21)11-9-17/h8-11,14,19H,5-7,12-13,15H2,1-4H3
InChIKeyFWGSRIPUTIXFAZ-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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]piperidine?
The IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine (CID 142475064) is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine?
The canonical SMILES for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine is CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine?
The InChIKey is FWGSRIPUTIXFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN/c1-16(2)14-19(22-12-6-5-7-13-22)15-20(3,4)17-8-10-18(21)11-9-17/h8-11,14,19H,5-7,12-13,15H2,1-4H3.
What are the key properties of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine?
1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine has a molecular weight of 303.47 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidine is sourced from PubChem (CID 142475064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).