4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine

C15H19NO2 — CID 67620970

IUPAC4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine
SMILESC1=CCCC(C2=COC(C3CCNCC3)=CO2)=C1
InChIInChI=1S/C15H19NO2/c1-2-4-12(5-3-1)14-10-18-15(11-17-14)13-6-8-16-9-7-13/h1-2,4,10-11,13,16H,3,5-9H2
InChIKeyDKILLIGSSVOSME-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.99
Rot. Bonds2

About 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine

4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine (PubChem CID 67620970) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine.

Molecular Properties

Compound Name4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine
PubChem CID67620970
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine
SMILESC1=CCCC(C2=COC(C3CCNCC3)=CO2)=C1
InChIInChI=1S/C15H19NO2/c1-2-4-12(5-3-1)14-10-18-15(11-17-14)13-6-8-16-9-7-13/h1-2,4,10-11,13,16H,3,5-9H2
InChIKeyDKILLIGSSVOSME-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine?
The IUPAC name of 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine (CID 67620970) is 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine.
What is the SMILES notation for 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine?
The canonical SMILES for 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine is C1=CCCC(C2=COC(C3CCNCC3)=CO2)=C1.
What is the InChIKey of 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine?
The InChIKey is DKILLIGSSVOSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-4-12(5-3-1)14-10-18-15(11-17-14)13-6-8-16-9-7-13/h1-2,4,10-11,13,16H,3,5-9H2.
What are the key properties of 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine?
4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine has a molecular weight of 245.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine is sourced from PubChem (CID 67620970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).