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

C21H25ClN2 — CID 56800369

IUPAC1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESClc1ccccc1CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H25ClN2/c22-21-11-5-4-10-20(21)12-14-24-17-15-23(16-18-24)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2/b9-6+
InChIKeyWAOMTGFQTISZAX-RMKNXTFCSA-N
MW340.90 g/mol
LogP4.21
Rot. Bonds6

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

1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 56800369) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID56800369
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESClc1ccccc1CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H25ClN2/c22-21-11-5-4-10-20(21)12-14-24-17-15-23(16-18-24)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2/b9-6+
InChIKeyWAOMTGFQTISZAX-RMKNXTFCSA-N
XLogP4.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride
CID 67780666
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 56800369) is 1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is Clc1ccccc1CCN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is WAOMTGFQTISZAX-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H25ClN2/c22-21-11-5-4-10-20(21)12-14-24-17-15-23(16-18-24)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2/b9-6+.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 340.90 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 56800369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).