1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine

C17H28N2 — CID 742628

IUPAC1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine
SMILESC1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(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/t14-,15+,16-/m1/s1
InChIKeyWWMADOQKXVKTKF-OWCLPIDISA-N
MW260.42 g/mol
LogP2.76
Rot. Bonds3

About 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine

1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine (PubChem CID 742628) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine
PubChem CID742628
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine
SMILESC1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(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/t14-,15+,16-/m1/s1
InChIKeyWWMADOQKXVKTKF-OWCLPIDISA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine (CID 742628) is 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine is C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine?
The InChIKey is WWMADOQKXVKTKF-OWCLPIDISA-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/t14-,15+,16-/m1/s1.
What are the key properties of 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine?
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-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-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 742628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).