1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium

C12H15N3Y-2 — CID 59362093

IUPAC1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium
SMILESCN1CCN(/[C-]=N/c2[c-]cccc2)CC1.[Y]
InChIInChI=1S/C12H15N3.Y/c1-14-7-9-15(10-8-14)11-13-12-5-3-2-4-6-12;/h2-5H,7-10H2,1H3;/q-2;
InChIKeyZSLUFVJLWLCBOJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.27
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium

1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium (PubChem CID 59362093) has the molecular formula C12H15N3Y-2 and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium
PubChem CID59362093
Molecular FormulaC12H15N3Y-2
Molecular Weight290.18 g/mol
Exact Mass290.03
IUPAC Name1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium
SMILESCN1CCN(/[C-]=N/c2[c-]cccc2)CC1.[Y]
InChIInChI=1S/C12H15N3.Y/c1-14-7-9-15(10-8-14)11-13-12-5-3-2-4-6-12;/h2-5H,7-10H2,1H3;/q-2;
InChIKeyZSLUFVJLWLCBOJ-UHFFFAOYSA-N
XLogP1.27
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4H-benzimidazol-4-ide;yttrium
CID 59098102
N-phenyl-1-piperazin-1-ylmethanimine;yttrium
CID 59362087
1,2-dimethyl-4H-benzimidazol-4-ide;yttrium
CID 59890588
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
1-Penta-1,3-dien-3-yl-4,5-dihydroimidazole
CID 150233910
1,2-dimethyl-4H-benzimidazol-4-ide;ethane;yttrium
CID 160305620
1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)
CID 21334343
5-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 45087575

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium (CID 59362093) is 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium is CN1CCN(/[C-]=N/c2[c-]cccc2)CC1.[Y].
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium?
The InChIKey is ZSLUFVJLWLCBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.Y/c1-14-7-9-15(10-8-14)11-13-12-5-3-2-4-6-12;/h2-5H,7-10H2,1H3;/q-2;.
What are the key properties of 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium?
1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium has a molecular weight of 290.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium is sourced from PubChem (CID 59362093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).