4-cyclohexa-1,5-dien-1-yloxypiperidine

C11H17NO — CID 145341734

IUPAC4-cyclohexa-1,5-dien-1-yloxypiperidine
SMILESC1=CC(OC2CCNCC2)=CCC1
InChIInChI=1S/C11H17NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h2,4-5,11-12H,1,3,6-9H2
InChIKeyZEDRFZOSBAVPKW-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.99
Rot. Bonds2

About 4-cyclohexa-1,5-dien-1-yloxypiperidine

4-cyclohexa-1,5-dien-1-yloxypiperidine (PubChem CID 145341734) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yloxypiperidine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yloxypiperidine
PubChem CID145341734
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-cyclohexa-1,5-dien-1-yloxypiperidine
SMILESC1=CC(OC2CCNCC2)=CCC1
InChIInChI=1S/C11H17NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h2,4-5,11-12H,1,3,6-9H2
InChIKeyZEDRFZOSBAVPKW-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yloxypiperidine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yloxypiperidine (CID 145341734) is 4-cyclohexa-1,5-dien-1-yloxypiperidine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yloxypiperidine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yloxypiperidine is C1=CC(OC2CCNCC2)=CCC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yloxypiperidine?
The InChIKey is ZEDRFZOSBAVPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h2,4-5,11-12H,1,3,6-9H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-yloxypiperidine?
4-cyclohexa-1,5-dien-1-yloxypiperidine has a molecular weight of 179.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yloxypiperidine is sourced from PubChem (CID 145341734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).