1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine

C20H29NO3 — CID 91226907

IUPAC1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine
SMILESCOCCC1CCCN(C(CC2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C20H29NO3/c1-22-11-9-18-8-5-10-21(15-18)19(20-16-23-12-13-24-20)14-17-6-3-2-4-7-17/h2-3,6,12-13,16,18-19H,4-5,7-11,14-15H2,1H3
InChIKeyGPEJTMNLIXCLHZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.13
Rot. Bonds7

About 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine

1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine (PubChem CID 91226907) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine
PubChem CID91226907
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine
SMILESCOCCC1CCCN(C(CC2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C20H29NO3/c1-22-11-9-18-8-5-10-21(15-18)19(20-16-23-12-13-24-20)14-17-6-3-2-4-7-17/h2-3,6,12-13,16,18-19H,4-5,7-11,14-15H2,1H3
InChIKeyGPEJTMNLIXCLHZ-UHFFFAOYSA-N
XLogP4.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine with MolForge

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Related Compounds

(10bS)-7-methoxy-4-(2-methoxyethyl)-3-methyl-2,3,6,6a,10a,10b-hexahydro-1H-benzo[f]quinoline
CID 57050014
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine
CID 66726822
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(methoxymethyl)-3-prop-2-enylpiperidine
CID 66726850
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-ethyl-3-(methoxymethyl)piperidine
CID 66726856
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine
CID 66726881
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(ethoxymethyl)-3-methylpiperidine
CID 66726947
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxypropan-2-yl)-3-methylpiperidine
CID 66727027
1-[(2-Tert-butylcyclohexa-1,3-dien-1-yl)-(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine
CID 66727108
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine
CID 66727114
1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 66727122
1-[(2-Tert-butylcyclohexa-1,3-dien-1-yl)-(1,4-dioxin-2-yl)methyl]-3-methylpiperidine
CID 66727174
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(ethoxymethyl)-3-prop-2-enylpiperidine
CID 66727279

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine?
The IUPAC name of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine (CID 91226907) is 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine.
What is the SMILES notation for 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine?
The canonical SMILES for 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine is COCCC1CCCN(C(CC2=CC=CCC2)C2=COC=CO2)C1.
What is the InChIKey of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine?
The InChIKey is GPEJTMNLIXCLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-22-11-9-18-8-5-10-21(15-18)19(20-16-23-12-13-24-20)14-17-6-3-2-4-7-17/h2-3,6,12-13,16,18-19H,4-5,7-11,14-15H2,1H3.
What are the key properties of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine?
1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine has a molecular weight of 331.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine is sourced from PubChem (CID 91226907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).