1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine

C13H24N2 — CID 2845926

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine
SMILESCCN1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C13H24N2/c1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3
InChIKeyUUBRHDXZUFIDGG-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.98
Rot. Bonds3

About 1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine

1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine (PubChem CID 2845926) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine
PubChem CID2845926
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine
SMILESCCN1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C13H24N2/c1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3
InChIKeyUUBRHDXZUFIDGG-UHFFFAOYSA-N
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.98
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-3-en-1-ylmethyl)-4-ethylpiperazine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine (CID 2845926) is 1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine is CCN1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine?
The InChIKey is UUBRHDXZUFIDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13/h3-4,13H,2,5-12H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine?
1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-4-ethylpiperazine is sourced from PubChem (CID 2845926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).