1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine

C24H39N — CID 142475112

IUPAC1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C(C)C)CC1
InChIInChI=1S/C24H39N/c1-18(2)16-23(25-14-12-21(13-15-25)19(3)4)17-24(6,7)22-10-8-20(5)9-11-22/h8-11,16,19,21,23H,12-15,17H2,1-7H3
InChIKeyJRSDZDYWTZKYLC-UHFFFAOYSA-N
MW341.58 g/mol
LogP6.37
Rot. Bonds6

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

1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine (PubChem CID 142475112) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine
PubChem CID142475112
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Name1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C(C)C)CC1
InChIInChI=1S/C24H39N/c1-18(2)16-23(25-14-12-21(13-15-25)19(3)4)17-24(6,7)22-10-8-20(5)9-11-22/h8-11,16,19,21,23H,12-15,17H2,1-7H3
InChIKeyJRSDZDYWTZKYLC-UHFFFAOYSA-N
XLogP6.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-propan-2-ylpiperidine?
The IUPAC name of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine (CID 142475112) is 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine is CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine?
The InChIKey is JRSDZDYWTZKYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N/c1-18(2)16-23(25-14-12-21(13-15-25)19(3)4)17-24(6,7)22-10-8-20(5)9-11-22/h8-11,16,19,21,23H,12-15,17H2,1-7H3.
What are the key properties of 1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine?
1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine has a molecular weight of 341.58 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 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-propan-2-ylpiperidine is sourced from PubChem (CID 142475112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).