1,4-bis(1-phenylprop-2-enyl)piperazine

C22H26N2 — CID 67460687

IUPAC1,4-bis(1-phenylprop-2-enyl)piperazine
SMILESC=CC(c1ccccc1)N1CCN(C(C=C)c2ccccc2)CC1
InChIInChI=1S/C22H26N2/c1-3-21(19-11-7-5-8-12-19)23-15-17-24(18-16-23)22(4-2)20-13-9-6-10-14-20/h3-14,21-22H,1-2,15-18H2
InChIKeyOTAJKACSAZAEAL-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.46
Rot. Bonds6

About 1,4-bis(1-phenylprop-2-enyl)piperazine

1,4-bis(1-phenylprop-2-enyl)piperazine (PubChem CID 67460687) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1,4-bis(1-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1,4-bis(1-phenylprop-2-enyl)piperazine
PubChem CID67460687
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1,4-bis(1-phenylprop-2-enyl)piperazine
SMILESC=CC(c1ccccc1)N1CCN(C(C=C)c2ccccc2)CC1
InChIInChI=1S/C22H26N2/c1-3-21(19-11-7-5-8-12-19)23-15-17-24(18-16-23)22(4-2)20-13-9-6-10-14-20/h3-14,21-22H,1-2,15-18H2
InChIKeyOTAJKACSAZAEAL-UHFFFAOYSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.46
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(1-phenylprop-2-enyl)piperazine?
The IUPAC name of 1,4-bis(1-phenylprop-2-enyl)piperazine (CID 67460687) is 1,4-bis(1-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1,4-bis(1-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1,4-bis(1-phenylprop-2-enyl)piperazine is C=CC(c1ccccc1)N1CCN(C(C=C)c2ccccc2)CC1.
What is the InChIKey of 1,4-bis(1-phenylprop-2-enyl)piperazine?
The InChIKey is OTAJKACSAZAEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-3-21(19-11-7-5-8-12-19)23-15-17-24(18-16-23)22(4-2)20-13-9-6-10-14-20/h3-14,21-22H,1-2,15-18H2.
What are the key properties of 1,4-bis(1-phenylprop-2-enyl)piperazine?
1,4-bis(1-phenylprop-2-enyl)piperazine has a molecular weight of 318.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 67460687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).