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

C25H38FNO — CID 142475296

IUPAC1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C25H38FNO/c1-19(2)17-24(18-25(3,4)22-5-7-23(26)8-6-22)27-13-9-20(10-14-27)21-11-15-28-16-12-21/h5-8,17,20-21,24H,9-16,18H2,1-4H3
InChIKeyZSCDBBIKHNXBNC-UHFFFAOYSA-N
MW387.58 g/mol
LogP5.97
Rot. Bonds6

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

1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine (PubChem CID 142475296) has the molecular formula C25H38FNO and a molecular weight of 387.58 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine
PubChem CID142475296
Molecular FormulaC25H38FNO
Molecular Weight387.58 g/mol
Exact Mass387.29
IUPAC Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C25H38FNO/c1-19(2)17-24(18-25(3,4)22-5-7-23(26)8-6-22)27-13-9-20(10-14-27)21-11-15-28-16-12-21/h5-8,17,20-21,24H,9-16,18H2,1-4H3
InChIKeyZSCDBBIKHNXBNC-UHFFFAOYSA-N
XLogP5.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.58
LogP ≤ 55.97
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-(oxan-4-yl)piperidine?
The IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine (CID 142475296) is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine?
The canonical SMILES for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine is CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(C2CCOCC2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine?
The InChIKey is ZSCDBBIKHNXBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38FNO/c1-19(2)17-24(18-25(3,4)22-5-7-23(26)8-6-22)27-13-9-20(10-14-27)21-11-15-28-16-12-21/h5-8,17,20-21,24H,9-16,18H2,1-4H3.
What are the key properties of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine?
1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(oxan-4-yl)piperidine has a molecular weight of 387.58 g/mol, XLogP of 5.97, 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-(oxan-4-yl)piperidine is sourced from PubChem (CID 142475296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).