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

C20H30N2O3 — CID 90776847

IUPAC2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol
SMILESCN(C(CC1=CC=CCC1)C1=COC=CO1)C1(CCO)CCNCC1
InChIInChI=1S/C20H30N2O3/c1-22(20(9-12-23)7-10-21-11-8-20)18(19-16-24-13-14-25-19)15-17-5-3-2-4-6-17/h2-3,5,13-14,16,18,21,23H,4,6-12,15H2,1H3
InChIKeyPYOLGABSLOMKAL-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.82
Rot. Bonds7

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

2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol (PubChem CID 90776847) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol
PubChem CID90776847
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol
SMILESCN(C(CC1=CC=CCC1)C1=COC=CO1)C1(CCO)CCNCC1
InChIInChI=1S/C20H30N2O3/c1-22(20(9-12-23)7-10-21-11-8-20)18(19-16-24-13-14-25-19)15-17-5-3-2-4-6-17/h2-3,5,13-14,16,18,21,23H,4,6-12,15H2,1H3
InChIKeyPYOLGABSLOMKAL-UHFFFAOYSA-N
XLogP2.82
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]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
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
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
[1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-methylpiperidin-3-yl]methanol
CID 91098573
2-[4-[[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]piperidin-4-yl]ethanol
CID 91298359
[4-[[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]cyclohexyl]methanol
CID 91434227
1-[1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-ethylpiperidin-3-yl]ethanol
CID 91476386
[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]-methylamino]piperidin-4-yl]ethanol?
The IUPAC name of 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol (CID 90776847) is 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]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]-methylamino]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol is CN(C(CC1=CC=CCC1)C1=COC=CO1)C1(CCO)CCNCC1.
What is the InChIKey of 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol?
The InChIKey is PYOLGABSLOMKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-22(20(9-12-23)7-10-21-11-8-20)18(19-16-24-13-14-25-19)15-17-5-3-2-4-6-17/h2-3,5,13-14,16,18,21,23H,4,6-12,15H2,1H3.
What are the key properties of 2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol?
2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol has a molecular weight of 346.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 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]-methylamino]piperidin-4-yl]ethanol is sourced from PubChem (CID 90776847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).