4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine

C26H36N2O — CID 142475272

IUPAC4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine
SMILESCOc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C26H36N2O/c1-20(2)18-24(19-26(3,4)23-6-8-25(29-5)9-7-23)28-16-12-22(13-17-28)21-10-14-27-15-11-21/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3
InChIKeyZLJQEAXFFUHQMV-UHFFFAOYSA-N
MW392.59 g/mol
LogP5.97
Rot. Bonds7

About 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine

4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine (PubChem CID 142475272) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine
PubChem CID142475272
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine
SMILESCOc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C26H36N2O/c1-20(2)18-24(19-26(3,4)23-6-8-25(29-5)9-7-23)28-16-12-22(13-17-28)21-10-14-27-15-11-21/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3
InChIKeyZLJQEAXFFUHQMV-UHFFFAOYSA-N
XLogP5.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
The IUPAC name of 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine (CID 142475272) is 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine is COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1.
What is the InChIKey of 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
The InChIKey is ZLJQEAXFFUHQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-20(2)18-24(19-26(3,4)23-6-8-25(29-5)9-7-23)28-16-12-22(13-17-28)21-10-14-27-15-11-21/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3.
What are the key properties of 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine has a molecular weight of 392.59 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine is sourced from PubChem (CID 142475272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).