1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine

C13H20N2 — CID 143318407

IUPAC1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine
SMILESCCN1CCN(C2=CC=CC3CC23)CC1
InChIInChI=1S/C13H20N2/c1-2-14-6-8-15(9-7-14)13-5-3-4-11-10-12(11)13/h3-5,11-12H,2,6-10H2,1H3
InChIKeyHGCSUGGLUVLVIO-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.71
Rot. Bonds2

About 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine

1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine (PubChem CID 143318407) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine
PubChem CID143318407
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine
SMILESCCN1CCN(C2=CC=CC3CC23)CC1
InChIInChI=1S/C13H20N2/c1-2-14-6-8-15(9-7-14)13-5-3-4-11-10-12(11)13/h3-5,11-12H,2,6-10H2,1H3
InChIKeyHGCSUGGLUVLVIO-UHFFFAOYSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine?
The IUPAC name of 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine (CID 143318407) is 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine?
The canonical SMILES for 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine is CCN1CCN(C2=CC=CC3CC23)CC1.
What is the InChIKey of 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine?
The InChIKey is HGCSUGGLUVLVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-14-6-8-15(9-7-14)13-5-3-4-11-10-12(11)13/h3-5,11-12H,2,6-10H2,1H3.
What are the key properties of 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine?
1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine has a molecular weight of 204.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylpiperazine is sourced from PubChem (CID 143318407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).