4-ethylcyclohexene;piperidine

C13H25N — CID 70380759

IUPAC4-ethylcyclohexene;piperidine
SMILESC1CCNCC1.CCC1CC=CCC1
InChIInChI=1S/C8H14.C5H11N/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1/h3-4,8H,2,5-7H2,1H3;6H,1-5H2
InChIKeyKTCFWFAJSLOLQG-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds1

About 4-ethylcyclohexene;piperidine

4-ethylcyclohexene;piperidine (PubChem CID 70380759) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-ethylcyclohexene;piperidine.

Molecular Properties

Compound Name4-ethylcyclohexene;piperidine
PubChem CID70380759
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-ethylcyclohexene;piperidine
SMILESC1CCNCC1.CCC1CC=CCC1
InChIInChI=1S/C8H14.C5H11N/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1/h3-4,8H,2,5-7H2,1H3;6H,1-5H2
InChIKeyKTCFWFAJSLOLQG-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
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-ethylcyclohexene;piperidine?
The IUPAC name of 4-ethylcyclohexene;piperidine (CID 70380759) is 4-ethylcyclohexene;piperidine.
What is the SMILES notation for 4-ethylcyclohexene;piperidine?
The canonical SMILES for 4-ethylcyclohexene;piperidine is C1CCNCC1.CCC1CC=CCC1.
What is the InChIKey of 4-ethylcyclohexene;piperidine?
The InChIKey is KTCFWFAJSLOLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C5H11N/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1/h3-4,8H,2,5-7H2,1H3;6H,1-5H2.
What are the key properties of 4-ethylcyclohexene;piperidine?
4-ethylcyclohexene;piperidine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylcyclohexene;piperidine is sourced from PubChem (CID 70380759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).