1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine

C18H26N2 — CID 143025752

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine
SMILESC1=CCC(N2CCN(CC3CC4C=CC3C4)CC2)C=C1
InChIInChI=1S/C18H26N2/c1-2-4-18(5-3-1)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-4,6-7,15-18H,5,8-14H2
InChIKeyZZTOXNLOHSVEPU-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.70
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine (PubChem CID 143025752) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine
PubChem CID143025752
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine
SMILESC1=CCC(N2CCN(CC3CC4C=CC3C4)CC2)C=C1
InChIInChI=1S/C18H26N2/c1-2-4-18(5-3-1)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-4,6-7,15-18H,5,8-14H2
InChIKeyZZTOXNLOHSVEPU-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.70
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-cyclohexa-2,4-dien-1-ylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine (CID 143025752) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine is C1=CCC(N2CCN(CC3CC4C=CC3C4)CC2)C=C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine?
The InChIKey is ZZTOXNLOHSVEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-4-18(5-3-1)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-4,6-7,15-18H,5,8-14H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-cyclohexa-2,4-dien-1-ylpiperazine has a molecular weight of 270.42 g/mol, XLogP of 2.70, 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-cyclohexa-2,4-dien-1-ylpiperazine is sourced from PubChem (CID 143025752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).