N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine

C20H22ClN3O — CID 2868304

IUPACN-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccccc1C=CC=NN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O/c1-25-20-7-3-2-5-17(20)6-4-12-22-24-15-13-23(14-16-24)19-10-8-18(21)9-11-19/h2-12H,13-16H2,1H3
InChIKeyDXYRDPXDNIJMPD-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.17
Rot. Bonds5

About N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine

N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine (PubChem CID 2868304) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
PubChem CID2868304
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccccc1C=CC=NN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O/c1-25-20-7-3-2-5-17(20)6-4-12-22-24-15-13-23(14-16-24)19-10-8-18(21)9-11-19/h2-12H,13-16H2,1H3
InChIKeyDXYRDPXDNIJMPD-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 2875481
2-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135603180
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine;hydrochloride
CID 2868825
(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 6862353
N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 795095
(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
CID 6899320
(Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine
CID 6996171
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
3-(4-chlorophenyl)-4-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
CID 5350905
2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135676753
4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide
CID 6899373
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
The IUPAC name of N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine (CID 2868304) is N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine.
What is the SMILES notation for N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
The canonical SMILES for N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine is COc1ccccc1C=CC=NN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
The InChIKey is DXYRDPXDNIJMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-25-20-7-3-2-5-17(20)6-4-12-22-24-15-13-23(14-16-24)19-10-8-18(21)9-11-19/h2-12H,13-16H2,1H3.
What are the key properties of N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine has a molecular weight of 355.87 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine is sourced from PubChem (CID 2868304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).