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

C20H23ClN2 — CID 2056919

IUPAC1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESC/C(=C\c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2/c1-17(14-18-6-3-2-4-7-18)16-22-10-12-23(13-11-22)20-9-5-8-19(21)15-20/h2-9,14-15H,10-13,16H2,1H3/b17-14+
InChIKeyHYTXLDGELUKQOT-SAPNQHFASA-N
MW326.87 g/mol
LogP4.57
Rot. Bonds4

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

1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (PubChem CID 2056919) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
PubChem CID2056919
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESC/C(=C\c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2/c1-17(14-18-6-3-2-4-7-18)16-22-10-12-23(13-11-22)20-9-5-8-19(21)15-20/h2-9,14-15H,10-13,16H2,1H3/b17-14+
InChIKeyHYTXLDGELUKQOT-SAPNQHFASA-N
XLogP4.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (CID 2056919) is 1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is C/C(=C\c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The InChIKey is HYTXLDGELUKQOT-SAPNQHFASA-N. The full InChI is InChI=1S/C20H23ClN2/c1-17(14-18-6-3-2-4-7-18)16-22-10-12-23(13-11-22)20-9-5-8-19(21)15-20/h2-9,14-15H,10-13,16H2,1H3/b17-14+.
What are the key properties of 1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine has a molecular weight of 326.87 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 2056919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).