1-cyclohex-2-en-1-yl-3-ethoxypiperidine

C13H23NO — CID 56794048

IUPAC1-cyclohex-2-en-1-yl-3-ethoxypiperidine
SMILESCCOC1CCCN(C2C=CCCC2)C1
InChIInChI=1S/C13H23NO/c1-2-15-13-9-6-10-14(11-13)12-7-4-3-5-8-12/h4,7,12-13H,2-3,5-6,8-11H2,1H3
InChIKeyUPJYFXCFJJMFNO-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.60
Rot. Bonds3

About 1-cyclohex-2-en-1-yl-3-ethoxypiperidine

1-cyclohex-2-en-1-yl-3-ethoxypiperidine (PubChem CID 56794048) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-ethoxypiperidine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-ethoxypiperidine
PubChem CID56794048
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclohex-2-en-1-yl-3-ethoxypiperidine
SMILESCCOC1CCCN(C2C=CCCC2)C1
InChIInChI=1S/C13H23NO/c1-2-15-13-9-6-10-14(11-13)12-7-4-3-5-8-12/h4,7,12-13H,2-3,5-6,8-11H2,1H3
InChIKeyUPJYFXCFJJMFNO-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-cyclohex-2-en-1-yl-3-ethoxypiperidine?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-ethoxypiperidine (CID 56794048) is 1-cyclohex-2-en-1-yl-3-ethoxypiperidine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-ethoxypiperidine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-ethoxypiperidine is CCOC1CCCN(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-ethoxypiperidine?
The InChIKey is UPJYFXCFJJMFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-15-13-9-6-10-14(11-13)12-7-4-3-5-8-12/h4,7,12-13H,2-3,5-6,8-11H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yl-3-ethoxypiperidine?
1-cyclohex-2-en-1-yl-3-ethoxypiperidine has a molecular weight of 209.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-ethoxypiperidine is sourced from PubChem (CID 56794048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).