4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine

C13H21NO — CID 173184417

IUPAC4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine
SMILESCCN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO/c1-2-14-10-8-13(9-11-14)15-12-6-4-3-5-7-12/h4,6-7,13H,2-3,5,8-11H2,1H3
InChIKeyWFLOQHOUCCXSHA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.72
Rot. Bonds3

About 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine

4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine (PubChem CID 173184417) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine
PubChem CID173184417
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine
SMILESCCN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO/c1-2-14-10-8-13(9-11-14)15-12-6-4-3-5-7-12/h4,6-7,13H,2-3,5,8-11H2,1H3
InChIKeyWFLOQHOUCCXSHA-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine (CID 173184417) is 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine is CCN1CCC(OC2=CCCC=C2)CC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine?
The InChIKey is WFLOQHOUCCXSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-14-10-8-13(9-11-14)15-12-6-4-3-5-7-12/h4,6-7,13H,2-3,5,8-11H2,1H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine?
4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine has a molecular weight of 207.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine is sourced from PubChem (CID 173184417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).