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

C19H27NO3 — CID 66726822

IUPAC1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine
SMILESCOCCC1CCCN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C19H27NO3/c1-21-11-9-16-6-5-10-20(14-16)19(17-7-3-2-4-8-17)18-15-22-12-13-23-18/h2-3,7,12-13,15-16,19H,4-6,8-11,14H2,1H3
InChIKeyWJNWYMSHNPTBPH-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.74
Rot. Bonds6

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

1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine (PubChem CID 66726822) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine
PubChem CID66726822
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine
SMILESCOCCC1CCCN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C19H27NO3/c1-21-11-9-16-6-5-10-20(14-16)19(17-7-3-2-4-8-17)18-15-22-12-13-23-18/h2-3,7,12-13,15-16,19H,4-6,8-11,14H2,1H3
InChIKeyWJNWYMSHNPTBPH-UHFFFAOYSA-N
XLogP3.74
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(2-methoxyethyl)piperidine?
The IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine (CID 66726822) is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine.
What is the SMILES notation for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine?
The canonical SMILES for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine is COCCC1CCCN(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-(2-methoxyethyl)piperidine?
The InChIKey is WJNWYMSHNPTBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-21-11-9-16-6-5-10-20(14-16)19(17-7-3-2-4-8-17)18-15-22-12-13-23-18/h2-3,7,12-13,15-16,19H,4-6,8-11,14H2,1H3.
What are the key properties of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine?
1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine has a molecular weight of 317.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-(2-methoxyethyl)piperidine is sourced from PubChem (CID 66726822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).