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

C19H21ClN2 — CID 757460

IUPAC1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESClc1ccccc1N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
InChIKeyKEZXDOHCXIWMNF-RMKNXTFCSA-N
MW312.84 g/mol
LogP4.18
Rot. Bonds4

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

1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 757460) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID757460
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESClc1ccccc1N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
InChIKeyKEZXDOHCXIWMNF-RMKNXTFCSA-N
XLogP4.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 757460) is 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is Clc1ccccc1N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is KEZXDOHCXIWMNF-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H21ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+.
What are the key properties of 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 312.84 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 757460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).