1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine

C18H25NO2 — CID 66726881

IUPAC1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C18H25NO2/c1-14-10-15(2)12-19(11-14)18(16-6-4-3-5-7-16)17-13-20-8-9-21-17/h3-4,6,8-9,13-15,18H,5,7,10-12H2,1-2H3
InChIKeyGEQBWRPUIYWENZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.97
Rot. Bonds3

About 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine

1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine (PubChem CID 66726881) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine
PubChem CID66726881
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C18H25NO2/c1-14-10-15(2)12-19(11-14)18(16-6-4-3-5-7-16)17-13-20-8-9-21-17/h3-4,6,8-9,13-15,18H,5,7,10-12H2,1-2H3
InChIKeyGEQBWRPUIYWENZ-UHFFFAOYSA-N
XLogP3.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine (CID 66726881) is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine is CC1CC(C)CN(C(C2=CC=CCC2)C2=COC=CO2)C1.
What is the InChIKey of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine?
The InChIKey is GEQBWRPUIYWENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-10-15(2)12-19(11-14)18(16-6-4-3-5-7-16)17-13-20-8-9-21-17/h3-4,6,8-9,13-15,18H,5,7,10-12H2,1-2H3.
What are the key properties of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine?
1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine has a molecular weight of 287.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 66726881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).