1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium

C19H21Cl2N2+ — CID 2055582

IUPAC1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium
SMILESCl/C(=C/c1ccccc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20Cl2N2/c20-17-6-8-19(9-7-17)23-12-10-22(11-13-23)15-18(21)14-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1/b18-14+
InChIKeyHLFFMLKSXHMNEH-NBVRZTHBSA-O
MW348.30 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium

1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium (PubChem CID 2055582) has the molecular formula C19H21Cl2N2+ and a molecular weight of 348.30 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium
PubChem CID2055582
Molecular FormulaC19H21Cl2N2+
Molecular Weight348.30 g/mol
Exact Mass347.11
IUPAC Name1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium
SMILESCl/C(=C/c1ccccc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20Cl2N2/c20-17-6-8-19(9-7-17)23-12-10-22(11-13-23)15-18(21)14-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1/b18-14+
InChIKeyHLFFMLKSXHMNEH-NBVRZTHBSA-O
XLogP3.32
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-methylbut-2-enyl]-4-phenylpiperazin-1-ium
CID 6942886
N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
CID 6939888
1-[(E)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazin-1-ium
CID 6942733
N-(5-chloro-2-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7925966
N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2172531
2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 4118384
N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8530398
1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium
CID 6942759
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
N,N-dibenzyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688802
1-[(2-chloro-6-fluorophenyl)methyl]-4-phenylpiperazin-1-ium
CID 6943088
4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one
CID 6987170

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium?
The IUPAC name of 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium (CID 2055582) is 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium is Cl/C(=C/c1ccccc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium?
The InChIKey is HLFFMLKSXHMNEH-NBVRZTHBSA-O. The full InChI is InChI=1S/C19H20Cl2N2/c20-17-6-8-19(9-7-17)23-12-10-22(11-13-23)15-18(21)14-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1/b18-14+.
What are the key properties of 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium?
1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium has a molecular weight of 348.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(E)-2-chloro-3-phenylprop-2-enyl]piperazin-4-ium is sourced from PubChem (CID 2055582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).