1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine

C20H23ClN2 — CID 10782419

IUPAC1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
SMILESClc1ccc(/C=C/CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23ClN2/c21-20-10-8-18(9-11-20)7-4-12-22-13-15-23(16-14-22)17-19-5-2-1-3-6-19/h1-11H,12-17H2/b7-4+
InChIKeyWOYDZSCCMZZLRT-QPJJXVBHSA-N
MW326.87 g/mol
LogP4.17
Rot. Bonds5

About 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine

1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine (PubChem CID 10782419) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
PubChem CID10782419
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
SMILESClc1ccc(/C=C/CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23ClN2/c21-20-10-8-18(9-11-20)7-4-12-22-13-15-23(16-14-22)17-19-5-2-1-3-6-19/h1-11H,12-17H2/b7-4+
InChIKeyWOYDZSCCMZZLRT-QPJJXVBHSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine (CID 10782419) is 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine is Clc1ccc(/C=C/CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine?
The InChIKey is WOYDZSCCMZZLRT-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H23ClN2/c21-20-10-8-18(9-11-20)7-4-12-22-13-15-23(16-14-22)17-19-5-2-1-3-6-19/h1-11H,12-17H2/b7-4+.
What are the key properties of 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine?
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine has a molecular weight of 326.87 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 10782419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).