(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine

C18H21N3O — CID 5344445

IUPAC(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine
SMILESCOc1ccccc1N1CCN(/N=C\c2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c1-22-18-10-6-5-9-17(18)20-11-13-21(14-12-20)19-15-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/b19-15-
InChIKeyJULOIJGYISWIHJ-CYVLTUHYSA-N
MW295.39 g/mol
LogP2.85
Rot. Bonds4

About (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine

(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine (PubChem CID 5344445) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine
PubChem CID5344445
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine
SMILESCOc1ccccc1N1CCN(/N=C\c2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c1-22-18-10-6-5-9-17(18)20-11-13-21(14-12-20)19-15-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/b19-15-
InChIKeyJULOIJGYISWIHJ-CYVLTUHYSA-N
XLogP2.85
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine?
The IUPAC name of (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine (CID 5344445) is (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine?
The canonical SMILES for (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine is COc1ccccc1N1CCN(/N=C\c2ccccc2)CC1.
What is the InChIKey of (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine?
The InChIKey is JULOIJGYISWIHJ-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-22-18-10-6-5-9-17(18)20-11-13-21(14-12-20)19-15-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/b19-15-.
What are the key properties of (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine?
(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine has a molecular weight of 295.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylmethanimine is sourced from PubChem (CID 5344445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).