1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine

C20H22Cl2N2 — CID 92904353

IUPAC1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
SMILESClc1cccc(CN2CCN(C/C=C\c3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H22Cl2N2/c21-19-10-4-9-18(20(19)22)16-24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10H,11-16H2/b8-5-
InChIKeySEOSVDFYKDQSQO-YVMONPNESA-N
MW361.32 g/mol
LogP4.82
Rot. Bonds5

About 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine

1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine (PubChem CID 92904353) has the molecular formula C20H22Cl2N2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
PubChem CID92904353
Molecular FormulaC20H22Cl2N2
Molecular Weight361.32 g/mol
Exact Mass360.12
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
SMILESClc1cccc(CN2CCN(C/C=C\c3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H22Cl2N2/c21-19-10-4-9-18(20(19)22)16-24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10H,11-16H2/b8-5-
InChIKeySEOSVDFYKDQSQO-YVMONPNESA-N
XLogP4.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 56800369
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine
CID 2244938
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 77097247
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6038045

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine (CID 92904353) is 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine is Clc1cccc(CN2CCN(C/C=C\c3ccccc3)CC2)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine?
The InChIKey is SEOSVDFYKDQSQO-YVMONPNESA-N. The full InChI is InChI=1S/C20H22Cl2N2/c21-19-10-4-9-18(20(19)22)16-24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10H,11-16H2/b8-5-.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine?
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine has a molecular weight of 361.32 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 92904353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).