1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine

C26H41NO — CID 142475195

IUPAC1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C26H41NO/c1-20(2)18-25(19-26(4,5)24-8-6-21(3)7-9-24)27-14-10-22(11-15-27)23-12-16-28-17-13-23/h6-9,18,22-23,25H,10-17,19H2,1-5H3
InChIKeyNFBCKJPVFTVBNX-UHFFFAOYSA-N
MW383.62 g/mol
LogP6.14
Rot. Bonds6

About 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine

1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine (PubChem CID 142475195) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine
PubChem CID142475195
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C2CCOCC2)CC1
InChIInChI=1S/C26H41NO/c1-20(2)18-25(19-26(4,5)24-8-6-21(3)7-9-24)27-14-10-22(11-15-27)23-12-16-28-17-13-23/h6-9,18,22-23,25H,10-17,19H2,1-5H3
InChIKeyNFBCKJPVFTVBNX-UHFFFAOYSA-N
XLogP6.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.14
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-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine?
The IUPAC name of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine (CID 142475195) is 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine?
The canonical SMILES for 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine is CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C2CCOCC2)CC1.
What is the InChIKey of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine?
The InChIKey is NFBCKJPVFTVBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO/c1-20(2)18-25(19-26(4,5)24-8-6-21(3)7-9-24)27-14-10-22(11-15-27)23-12-16-28-17-13-23/h6-9,18,22-23,25H,10-17,19H2,1-5H3.
What are the key properties of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine?
1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine has a molecular weight of 383.62 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 142475195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).