1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine

C21H29NO3 — CID 69046520

IUPAC1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
SMILESCCC(OCC=CC1=COC(C2=CC=CCC2)=CO1)N1CCCCC1
InChIInChI=1S/C21H29NO3/c1-2-21(22-13-7-4-8-14-22)23-15-9-12-19-16-25-20(17-24-19)18-10-5-3-6-11-18/h3,5,9-10,12,16-17,21H,2,4,6-8,11,13-15H2,1H3
InChIKeyZJQQOAOZROYHGF-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.79
Rot. Bonds7

About 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine

1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine (PubChem CID 69046520) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
PubChem CID69046520
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
SMILESCCC(OCC=CC1=COC(C2=CC=CCC2)=CO1)N1CCCCC1
InChIInChI=1S/C21H29NO3/c1-2-21(22-13-7-4-8-14-22)23-15-9-12-19-16-25-20(17-24-19)18-10-5-3-6-11-18/h3,5,9-10,12,16-17,21H,2,4,6-8,11,13-15H2,1H3
InChIKeyZJQQOAOZROYHGF-UHFFFAOYSA-N
XLogP4.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine?
The IUPAC name of 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine (CID 69046520) is 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine.
What is the SMILES notation for 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine?
The canonical SMILES for 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine is CCC(OCC=CC1=COC(C2=CC=CCC2)=CO1)N1CCCCC1.
What is the InChIKey of 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine?
The InChIKey is ZJQQOAOZROYHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-2-21(22-13-7-4-8-14-22)23-15-9-12-19-16-25-20(17-24-19)18-10-5-3-6-11-18/h3,5,9-10,12,16-17,21H,2,4,6-8,11,13-15H2,1H3.
What are the key properties of 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine?
1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine has a molecular weight of 343.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine is sourced from PubChem (CID 69046520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).