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

C18H26N2O3 — CID 68783278

IUPAC2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol
SMILESOCCC1(NC(C2=CC=CCC2)C2=COC=CO2)CCNCC1
InChIInChI=1S/C18H26N2O3/c21-11-8-18(6-9-19-10-7-18)20-17(15-4-2-1-3-5-15)16-14-22-12-13-23-16/h1-2,4,12-14,17,19-21H,3,5-11H2
InChIKeyZLVJKSXRYJLPKO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.09
Rot. Bonds6

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

2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol (PubChem CID 68783278) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol
PubChem CID68783278
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol
SMILESOCCC1(NC(C2=CC=CCC2)C2=COC=CO2)CCNCC1
InChIInChI=1S/C18H26N2O3/c21-11-8-18(6-9-19-10-7-18)20-17(15-4-2-1-3-5-15)16-14-22-12-13-23-16/h1-2,4,12-14,17,19-21H,3,5-11H2
InChIKeyZLVJKSXRYJLPKO-UHFFFAOYSA-N
XLogP2.09
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol?
The IUPAC name of 2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol (CID 68783278) is 2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol is OCCC1(NC(C2=CC=CCC2)C2=COC=CO2)CCNCC1.
What is the InChIKey of 2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol?
The InChIKey is ZLVJKSXRYJLPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-11-8-18(6-9-19-10-7-18)20-17(15-4-2-1-3-5-15)16-14-22-12-13-23-16/h1-2,4,12-14,17,19-21H,3,5-11H2.
What are the key properties of 2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol?
2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol has a molecular weight of 318.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]piperidin-4-yl]ethanol is sourced from PubChem (CID 68783278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).