1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine

C20H23FN2 — CID 2055594

IUPAC1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESC/C(=C\c1ccccc1)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2/c1-17(15-18-7-3-2-4-8-18)16-22-11-13-23(14-12-22)20-10-6-5-9-19(20)21/h2-10,15H,11-14,16H2,1H3/b17-15+
InChIKeyRNHJVYBMEJAHMS-BMRADRMJSA-N
MW310.42 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine

1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (PubChem CID 2055594) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
PubChem CID2055594
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESC/C(=C\c1ccccc1)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2/c1-17(15-18-7-3-2-4-8-18)16-22-11-13-23(14-12-22)20-10-6-5-9-19(20)21/h2-10,15H,11-14,16H2,1H3/b17-15+
InChIKeyRNHJVYBMEJAHMS-BMRADRMJSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (CID 2055594) is 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is C/C(=C\c1ccccc1)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The InChIKey is RNHJVYBMEJAHMS-BMRADRMJSA-N. The full InChI is InChI=1S/C20H23FN2/c1-17(15-18-7-3-2-4-8-18)16-22-11-13-23(14-12-22)20-10-6-5-9-19(20)21/h2-10,15H,11-14,16H2,1H3/b17-15+.
What are the key properties of 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine has a molecular weight of 310.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 2055594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).