1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine

C24H37NO — CID 142475128

IUPAC1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine
SMILESCC(C)=CC(CCc1ccc(C)cc1)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C24H37NO/c1-19(2)18-24(9-8-21-6-4-20(3)5-7-21)25-14-10-22(11-15-25)23-12-16-26-17-13-23/h4-7,18,22-24H,8-17H2,1-3H3
InChIKeyUCLUQSZDWIFRLJ-UHFFFAOYSA-N
MW355.57 g/mol
LogP5.40
Rot. Bonds6

About 1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine

1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine (PubChem CID 142475128) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine
PubChem CID142475128
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine
SMILESCC(C)=CC(CCc1ccc(C)cc1)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C24H37NO/c1-19(2)18-24(9-8-21-6-4-20(3)5-7-21)25-14-10-22(11-15-25)23-12-16-26-17-13-23/h4-7,18,22-24H,8-17H2,1-3H3
InChIKeyUCLUQSZDWIFRLJ-UHFFFAOYSA-N
XLogP5.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.40
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-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine?
The IUPAC name of 1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine (CID 142475128) is 1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine?
The canonical SMILES for 1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine is CC(C)=CC(CCc1ccc(C)cc1)N1CCC(C2CCOCC2)CC1.
What is the InChIKey of 1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine?
The InChIKey is UCLUQSZDWIFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO/c1-19(2)18-24(9-8-21-6-4-20(3)5-7-21)25-14-10-22(11-15-25)23-12-16-26-17-13-23/h4-7,18,22-24H,8-17H2,1-3H3.
What are the key properties of 1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine?
1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine has a molecular weight of 355.57 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(4-methylphenyl)hex-4-en-3-yl]-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 142475128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).