(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine

C19H22ClN3O2 — CID 6879387

IUPAC(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine
SMILESCOc1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1OC
InChIInChI=1S/C19H22ClN3O2/c1-24-18-5-3-4-15(19(18)25-2)14-21-23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h3-9,14H,10-13H2,1-2H3/b21-14+
InChIKeyLAXLCTCMHRQYLM-KGENOOAVSA-N
MW359.86 g/mol
LogP3.51
Rot. Bonds5

About (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine

(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine (PubChem CID 6879387) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine
PubChem CID6879387
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine
SMILESCOc1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1OC
InChIInChI=1S/C19H22ClN3O2/c1-24-18-5-3-4-15(19(18)25-2)14-21-23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h3-9,14H,10-13H2,1-2H3/b21-14+
InChIKeyLAXLCTCMHRQYLM-KGENOOAVSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine (CID 6879387) is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine is COc1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1OC.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine?
The InChIKey is LAXLCTCMHRQYLM-KGENOOAVSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-24-18-5-3-4-15(19(18)25-2)14-21-23-12-10-22(11-13-23)17-8-6-16(20)7-9-17/h3-9,14H,10-13H2,1-2H3/b21-14+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine?
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine has a molecular weight of 359.86 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,3-dimethoxyphenyl)methanimine is sourced from PubChem (CID 6879387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).