(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine

C20H25N3O — CID 6879060

IUPAC(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine
SMILESCCCOc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-16-24-20-10-8-18(9-11-20)17-21-23-14-12-22(13-15-23)19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3/b21-17+
InChIKeyVLVSTHDNCRVLQC-HEHNFIMWSA-N
MW323.44 g/mol
LogP3.63
Rot. Bonds6

About (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine

(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine (PubChem CID 6879060) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine
PubChem CID6879060
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine
SMILESCCCOc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-16-24-20-10-8-18(9-11-20)17-21-23-14-12-22(13-15-23)19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3/b21-17+
InChIKeyVLVSTHDNCRVLQC-HEHNFIMWSA-N
XLogP3.63
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.63
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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Related Compounds

1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
CID 727396
(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine
CID 7420750
(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 5347654
N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 795095
(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
CID 118737749
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
CID 7387954
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
(Z)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 5413994
(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6896964
2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
CID 135576721
(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 75405131
2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 727330

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine?
The IUPAC name of (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine (CID 6879060) is (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine?
The canonical SMILES for (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine is CCCOc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine?
The InChIKey is VLVSTHDNCRVLQC-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-16-24-20-10-8-18(9-11-20)17-21-23-14-12-22(13-15-23)19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3/b21-17+.
What are the key properties of (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine?
(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine has a molecular weight of 323.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine is sourced from PubChem (CID 6879060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).