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

C19H22ClN2+ — CID 6938282

IUPAC1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
SMILESClc1ccccc1N1CC[NH+](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/p+1/b9-6+
InChIKeyKEZXDOHCXIWMNF-RMKNXTFCSA-O
MW313.85 g/mol
LogP2.76
Rot. Bonds4

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

1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium (PubChem CID 6938282) has the molecular formula C19H22ClN2+ and a molecular weight of 313.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
PubChem CID6938282
Molecular FormulaC19H22ClN2+
Molecular Weight313.85 g/mol
Exact Mass313.15
IUPAC Name1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
SMILESClc1ccccc1N1CC[NH+](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/p+1/b9-6+
InChIKeyKEZXDOHCXIWMNF-RMKNXTFCSA-O
XLogP2.76
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thiochromen-4-one
CID 7552640
1-(2,5-dichlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 6200212
1-[(E)-3-phenylprop-2-enyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium
CID 9310868
(3-chlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]methanone
CID 3562868
(4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone chloride
CID 18531800
(6-chloro-3-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
CID 2095198
1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium
CID 4751871
1-benzyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine
CID 7773711
4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]prop-1-enyl]-N,N-dimethylaniline
CID 7440950
1-(3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 8744944
1-(4-methyl-3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 7377573

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium?
The IUPAC name of 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium (CID 6938282) is 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium is Clc1ccccc1N1CC[NH+](C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium?
The InChIKey is KEZXDOHCXIWMNF-RMKNXTFCSA-O. 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/p+1/b9-6+.
What are the key properties of 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium?
1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium has a molecular weight of 313.85 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium is sourced from PubChem (CID 6938282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).