(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine

C20H22ClN3O — CID 6878409

IUPAC(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
SMILESCOc1ccccc1N1CCN(/N=C/C(Cl)=C/c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O/c1-25-20-10-6-5-9-19(20)23-11-13-24(14-12-23)22-16-18(21)15-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3/b18-15-,22-16+
InChIKeyCJMNNPHUGBJINN-MXXLVYNCSA-N
MW355.87 g/mol
LogP4.08
Rot. Bonds5

About (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine

(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine (PubChem CID 6878409) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
PubChem CID6878409
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
SMILESCOc1ccccc1N1CCN(/N=C/C(Cl)=C/c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O/c1-25-20-10-6-5-9-19(20)23-11-13-24(14-12-23)22-16-18(21)15-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3/b18-15-,22-16+
InChIKeyCJMNNPHUGBJINN-MXXLVYNCSA-N
XLogP4.08
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
CID 5344420
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
CID 5344505
(Z)-1-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
CID 5415041
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
CID 761607
1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 681522
N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6959314
2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 135506049
(Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine
CID 6996171

Frequently Asked Questions

What is the IUPAC name of (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The IUPAC name of (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine (CID 6878409) is (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine is COc1ccccc1N1CCN(/N=C/C(Cl)=C/c2ccccc2)CC1.
What is the InChIKey of (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The InChIKey is CJMNNPHUGBJINN-MXXLVYNCSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-25-20-10-6-5-9-19(20)23-11-13-24(14-12-23)22-16-18(21)15-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3/b18-15-,22-16+.
What are the key properties of (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine?
(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine has a molecular weight of 355.87 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 6878409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).