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

C16H28N2 — CID 139318544

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C16H28N2/c1-13(2)11-17-5-7-18(8-6-17)12-16-10-14-3-4-15(16)9-14/h3-4,13-16H,5-12H2,1-2H3
InChIKeyFSBXTLGBGCAEIZ-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.47
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine (PubChem CID 139318544) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine
PubChem CID139318544
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C16H28N2/c1-13(2)11-17-5-7-18(8-6-17)12-16-10-14-3-4-15(16)9-14/h3-4,13-16H,5-12H2,1-2H3
InChIKeyFSBXTLGBGCAEIZ-UHFFFAOYSA-N
XLogP2.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.47
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-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine (CID 139318544) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(CC2CC3C=CC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine?
The InChIKey is FSBXTLGBGCAEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(2)11-17-5-7-18(8-6-17)12-16-10-14-3-4-15(16)9-14/h3-4,13-16H,5-12H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methylpropyl)piperazine has a molecular weight of 248.41 g/mol, XLogP of 2.47, 4 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-(2-methylpropyl)piperazine is sourced from PubChem (CID 139318544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).