1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine

C15H21N3O2 — CID 782817

IUPAC1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
SMILESCCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21N3O2/c1-2-16-10-12-17(13-11-16)9-5-7-14-6-3-4-8-15(14)18(19)20/h3-8H,2,9-13H2,1H3/b7-5+
InChIKeySLNGTTMFTBPUNW-FNORWQNLSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds5

About 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine

1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine (PubChem CID 782817) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
PubChem CID782817
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
SMILESCCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21N3O2/c1-2-16-10-12-17(13-11-16)9-5-7-14-6-3-4-8-15(14)18(19)20/h3-8H,2,9-13H2,1H3/b7-5+
InChIKeySLNGTTMFTBPUNW-FNORWQNLSA-N
XLogP2.25
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine (CID 782817) is 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine is CCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
The InChIKey is SLNGTTMFTBPUNW-FNORWQNLSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-16-10-12-17(13-11-16)9-5-7-14-6-3-4-8-15(14)18(19)20/h3-8H,2,9-13H2,1H3/b7-5+.
What are the key properties of 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine has a molecular weight of 275.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 782817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).