4-cyclohexa-2,5-dien-1-ylpiperidine

C11H17N — CID 57192352

IUPAC4-cyclohexa-2,5-dien-1-ylpiperidine
SMILESC1=CC(C2CCNCC2)C=CC1
InChIInChI=1S/C11H17N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2-5,10-12H,1,6-9H2
InChIKeyYKFLJMGBDWYMKL-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.12
Rot. Bonds1

About 4-cyclohexa-2,5-dien-1-ylpiperidine

4-cyclohexa-2,5-dien-1-ylpiperidine (PubChem CID 57192352) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-cyclohexa-2,5-dien-1-ylpiperidine.

Molecular Properties

Compound Name4-cyclohexa-2,5-dien-1-ylpiperidine
PubChem CID57192352
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-cyclohexa-2,5-dien-1-ylpiperidine
SMILESC1=CC(C2CCNCC2)C=CC1
InChIInChI=1S/C11H17N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2-5,10-12H,1,6-9H2
InChIKeyYKFLJMGBDWYMKL-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,5-dien-1-ylpiperidine?
The IUPAC name of 4-cyclohexa-2,5-dien-1-ylpiperidine (CID 57192352) is 4-cyclohexa-2,5-dien-1-ylpiperidine.
What is the SMILES notation for 4-cyclohexa-2,5-dien-1-ylpiperidine?
The canonical SMILES for 4-cyclohexa-2,5-dien-1-ylpiperidine is C1=CC(C2CCNCC2)C=CC1.
What is the InChIKey of 4-cyclohexa-2,5-dien-1-ylpiperidine?
The InChIKey is YKFLJMGBDWYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2-5,10-12H,1,6-9H2.
What are the key properties of 4-cyclohexa-2,5-dien-1-ylpiperidine?
4-cyclohexa-2,5-dien-1-ylpiperidine has a molecular weight of 163.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,5-dien-1-ylpiperidine is sourced from PubChem (CID 57192352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).