1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine

C23H34FNO — CID 142475107

IUPAC1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine
SMILESCC(C)=CC(CCc1ccc(F)cc1)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C23H34FNO/c1-18(2)17-23(8-5-19-3-6-22(24)7-4-19)25-13-9-20(10-14-25)21-11-15-26-16-12-21/h3-4,6-7,17,20-21,23H,5,8-16H2,1-2H3
InChIKeyLQUXZTVTZRNZNG-UHFFFAOYSA-N
MW359.53 g/mol
LogP5.23
Rot. Bonds6

About 1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine

1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine (PubChem CID 142475107) has the molecular formula C23H34FNO and a molecular weight of 359.53 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine
PubChem CID142475107
Molecular FormulaC23H34FNO
Molecular Weight359.53 g/mol
Exact Mass359.26
IUPAC Name1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine
SMILESCC(C)=CC(CCc1ccc(F)cc1)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C23H34FNO/c1-18(2)17-23(8-5-19-3-6-22(24)7-4-19)25-13-9-20(10-14-25)21-11-15-26-16-12-21/h3-4,6-7,17,20-21,23H,5,8-16H2,1-2H3
InChIKeyLQUXZTVTZRNZNG-UHFFFAOYSA-N
XLogP5.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.53
LogP ≤ 55.23
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-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine (CID 142475107) is 1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine is CC(C)=CC(CCc1ccc(F)cc1)N1CCC(C2CCOCC2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine?
The InChIKey is LQUXZTVTZRNZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FNO/c1-18(2)17-23(8-5-19-3-6-22(24)7-4-19)25-13-9-20(10-14-25)21-11-15-26-16-12-21/h3-4,6-7,17,20-21,23H,5,8-16H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine?
1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine has a molecular weight of 359.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-methylhex-4-en-3-yl]-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 142475107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).