1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine

C24H39NO — CID 142475394

IUPAC1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine
SMILESCOc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C24H39NO/c1-18(2)16-22(25-14-12-20(13-15-25)19(3)4)17-24(5,6)21-8-10-23(26-7)11-9-21/h8-11,16,19-20,22H,12-15,17H2,1-7H3
InChIKeyPEGJVKYZQVJINL-UHFFFAOYSA-N
MW357.58 g/mol
LogP6.07
Rot. Bonds7

About 1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine

1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine (PubChem CID 142475394) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine
PubChem CID142475394
Molecular FormulaC24H39NO
Molecular Weight357.58 g/mol
Exact Mass357.30
IUPAC Name1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine
SMILESCOc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C24H39NO/c1-18(2)16-22(25-14-12-20(13-15-25)19(3)4)17-24(5,6)21-8-10-23(26-7)11-9-21/h8-11,16,19-20,22H,12-15,17H2,1-7H3
InChIKeyPEGJVKYZQVJINL-UHFFFAOYSA-N
XLogP6.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 56.07
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-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine (CID 142475394) is 1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine is COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine?
The InChIKey is PEGJVKYZQVJINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO/c1-18(2)16-22(25-14-12-20(13-15-25)19(3)4)17-24(5,6)21-8-10-23(26-7)11-9-21/h8-11,16,19-20,22H,12-15,17H2,1-7H3.
What are the key properties of 1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine?
1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine has a molecular weight of 357.58 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 142475394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).