1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine

C19H22ClN3O — CID 681522

IUPAC1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
SMILESCOc1ccccc1N1CCN(N=C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15(16-7-9-17(20)10-8-16)21-23-13-11-22(12-14-23)18-5-3-4-6-19(18)24-2/h3-10H,11-14H2,1-2H3
InChIKeyMUHWCHCEVWQDMT-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.89
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine

1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine (PubChem CID 681522) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
PubChem CID681522
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
SMILESCOc1ccccc1N1CCN(N=C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15(16-7-9-17(20)10-8-16)21-23-13-11-22(12-14-23)18-5-3-4-6-19(18)24-2/h3-10H,11-14H2,1-2H3
InChIKeyMUHWCHCEVWQDMT-UHFFFAOYSA-N
XLogP3.89
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.89
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

1-(4-methoxyphenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 761172
4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135877641
1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 1353948
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(4-chlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335597
1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone
CID 110453058
(Z)-1-(4-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)ethanimine
CID 5398172
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 46362988
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687143
methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
CID 5344505
(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6878409

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine (CID 681522) is 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine is COc1ccccc1N1CCN(N=C(C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
The InChIKey is MUHWCHCEVWQDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15(16-7-9-17(20)10-8-16)21-23-13-11-22(12-14-23)18-5-3-4-6-19(18)24-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine has a molecular weight of 343.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine is sourced from PubChem (CID 681522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).