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

C16H21NO2 — CID 71147185

IUPAC1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine
SMILESC1=CCCC(C(C2=COC=CO2)N2CCCCC2)=C1
InChIInChI=1S/C16H21NO2/c1-3-7-14(8-4-1)16(15-13-18-11-12-19-15)17-9-5-2-6-10-17/h1,3,7,11-13,16H,2,4-6,8-10H2
InChIKeyLYYQPFRGIFJUTA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.48
Rot. Bonds3

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

1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine (PubChem CID 71147185) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine
PubChem CID71147185
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine
SMILESC1=CCCC(C(C2=COC=CO2)N2CCCCC2)=C1
InChIInChI=1S/C16H21NO2/c1-3-7-14(8-4-1)16(15-13-18-11-12-19-15)17-9-5-2-6-10-17/h1,3,7,11-13,16H,2,4-6,8-10H2
InChIKeyLYYQPFRGIFJUTA-UHFFFAOYSA-N
XLogP3.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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]piperidine?
The IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine (CID 71147185) is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine.
What is the SMILES notation for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine?
The canonical SMILES for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine is C1=CCCC(C(C2=COC=CO2)N2CCCCC2)=C1.
What is the InChIKey of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine?
The InChIKey is LYYQPFRGIFJUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-7-14(8-4-1)16(15-13-18-11-12-19-15)17-9-5-2-6-10-17/h1,3,7,11-13,16H,2,4-6,8-10H2.
What are the key properties of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine?
1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine has a molecular weight of 259.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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]piperidine is sourced from PubChem (CID 71147185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).