1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine

C17H30N2 — CID 597645

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C17H30N2/c1-3-17(4-2)19-9-7-18(8-10-19)13-16-12-14-5-6-15(16)11-14/h5-6,14-17H,3-4,7-13H2,1-2H3
InChIKeyDDWDAWLJRHKZHU-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.00
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine (PubChem CID 597645) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine
PubChem CID597645
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C17H30N2/c1-3-17(4-2)19-9-7-18(8-10-19)13-16-12-14-5-6-15(16)11-14/h5-6,14-17H,3-4,7-13H2,1-2H3
InChIKeyDDWDAWLJRHKZHU-UHFFFAOYSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.00
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-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine (CID 597645) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine is CCC(CC)N1CCN(CC2CC3C=CC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine?
The InChIKey is DDWDAWLJRHKZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-17(4-2)19-9-7-18(8-10-19)13-16-12-14-5-6-15(16)11-14/h5-6,14-17H,3-4,7-13H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-pentan-3-ylpiperazine has a molecular weight of 262.44 g/mol, XLogP of 3.00, 5 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-pentan-3-ylpiperazine is sourced from PubChem (CID 597645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).