2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol

C19H28N2O3 — CID 91298359

IUPAC2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol
SMILESOCCC1(NC(CC2=CC=CCC2)C2=COC=CO2)CCNCC1
InChIInChI=1S/C19H28N2O3/c22-11-8-19(6-9-20-10-7-19)21-17(18-15-23-12-13-24-18)14-16-4-2-1-3-5-16/h1-2,4,12-13,15,17,20-22H,3,5-11,14H2
InChIKeyFXXQLNWSTQGWND-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.48
Rot. Bonds7

About 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol

2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol (PubChem CID 91298359) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol
PubChem CID91298359
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol
SMILESOCCC1(NC(CC2=CC=CCC2)C2=COC=CO2)CCNCC1
InChIInChI=1S/C19H28N2O3/c22-11-8-19(6-9-20-10-7-19)21-17(18-15-23-12-13-24-18)14-16-4-2-1-3-5-16/h1-2,4,12-13,15,17,20-22H,3,5-11,14H2
InChIKeyFXXQLNWSTQGWND-UHFFFAOYSA-N
XLogP2.48
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol with MolForge

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Related Compounds

[1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-fluoropiperidin-3-yl]methanol
CID 91047987
[4-[[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]cyclohexyl]methanol
CID 66747438
2-[4-[[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-methylamino]piperidin-4-yl]ethanol
CID 66747598
2-[4-[[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol
CID 68783278
2-[4-[[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol
CID 90776847
N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine
CID 90941848
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 90967186
[1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-ethylpiperidin-3-yl]methanol
CID 91000501
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
CID 91214620
[4-[[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]cyclohexyl]methanol
CID 91434227
[1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperidin-3-yl]methanol
CID 91570093
[1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 91613817

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol?
The IUPAC name of 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol (CID 91298359) is 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol is OCCC1(NC(CC2=CC=CCC2)C2=COC=CO2)CCNCC1.
What is the InChIKey of 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol?
The InChIKey is FXXQLNWSTQGWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-11-8-19(6-9-20-10-7-19)21-17(18-15-23-12-13-24-18)14-16-4-2-1-3-5-16/h1-2,4,12-13,15,17,20-22H,3,5-11,14H2.
What are the key properties of 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol?
2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol has a molecular weight of 332.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol is sourced from PubChem (CID 91298359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).