1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine

C17H28N2 — CID 2881306

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine
SMILESC1=CC2CC1CC2CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H28N2/c1-2-4-17(3-1)19-9-7-18(8-10-19)13-16-12-14-5-6-15(16)11-14/h5-6,14-17H,1-4,7-13H2
InChIKeyWWMADOQKXVKTKF-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.76
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine (PubChem CID 2881306) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine
PubChem CID2881306
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine
SMILESC1=CC2CC1CC2CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H28N2/c1-2-4-17(3-1)19-9-7-18(8-10-19)13-16-12-14-5-6-15(16)11-14/h5-6,14-17H,1-4,7-13H2
InChIKeyWWMADOQKXVKTKF-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine (CID 2881306) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine is C1=CC2CC1CC2CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine?
The InChIKey is WWMADOQKXVKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-4-17(3-1)19-9-7-18(8-10-19)13-16-12-14-5-6-15(16)11-14/h5-6,14-17H,1-4,7-13H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine has a molecular weight of 260.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclopentylpiperazine is sourced from PubChem (CID 2881306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).