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

C20H30N2 — CID 3150612

IUPAC1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine
SMILESC1=CC2CC1CC2CN1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C20H30N2/c1-3-17-9-15(1)11-19(17)13-21-5-7-22(8-6-21)14-20-12-16-2-4-18(20)10-16/h1-4,15-20H,5-14H2
InChIKeyDHUFVVDVTCDVHC-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.03
Rot. Bonds4

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

1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine (PubChem CID 3150612) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine.

Molecular Properties

Compound Name1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine
PubChem CID3150612
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine
SMILESC1=CC2CC1CC2CN1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C20H30N2/c1-3-17-9-15(1)11-19(17)13-21-5-7-22(8-6-21)14-20-12-16-2-4-18(20)10-16/h1-4,15-20H,5-14H2
InChIKeyDHUFVVDVTCDVHC-UHFFFAOYSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.03
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 1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine?
The IUPAC name of 1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine (CID 3150612) is 1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine.
What is the SMILES notation for 1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine?
The canonical SMILES for 1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine is C1=CC2CC1CC2CN1CCN(CC2CC3C=CC2C3)CC1.
What is the InChIKey of 1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine?
The InChIKey is DHUFVVDVTCDVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-3-17-9-15(1)11-19(17)13-21-5-7-22(8-6-21)14-20-12-16-2-4-18(20)10-16/h1-4,15-20H,5-14H2.
What are the key properties of 1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine?
1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine has a molecular weight of 298.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazine is sourced from PubChem (CID 3150612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).