N-phenyl-1-piperazin-1-ylmethanimine;yttrium

C11H13N3Y-2 — CID 59362087

IUPACN-phenyl-1-piperazin-1-ylmethanimine;yttrium
SMILES[C-](=N/c1[c-]cccc1)\N1CCNCC1.[Y]
InChIInChI=1S/C11H13N3.Y/c1-2-4-11(5-3-1)13-10-14-8-6-12-7-9-14;/h1-4,12H,6-9H2;/q-2;
InChIKeyFBKCFEDVEBPZOI-UHFFFAOYSA-N
MW276.15 g/mol
LogP0.93
Rot. Bonds2

About N-phenyl-1-piperazin-1-ylmethanimine;yttrium

N-phenyl-1-piperazin-1-ylmethanimine;yttrium (PubChem CID 59362087) has the molecular formula C11H13N3Y-2 and a molecular weight of 276.15 g/mol. Its IUPAC name is N-phenyl-1-piperazin-1-ylmethanimine;yttrium.

Molecular Properties

Compound NameN-phenyl-1-piperazin-1-ylmethanimine;yttrium
PubChem CID59362087
Molecular FormulaC11H13N3Y-2
Molecular Weight276.15 g/mol
Exact Mass276.02
IUPAC NameN-phenyl-1-piperazin-1-ylmethanimine;yttrium
SMILES[C-](=N/c1[c-]cccc1)\N1CCNCC1.[Y]
InChIInChI=1S/C11H13N3.Y/c1-2-4-11(5-3-1)13-10-14-8-6-12-7-9-14;/h1-4,12H,6-9H2;/q-2;
InChIKeyFBKCFEDVEBPZOI-UHFFFAOYSA-N
XLogP0.93
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
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-(2-chlorophenyl)piperazine
CID 162116490
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-methylpiperazine;N-phenylaniline
CID 161010175
N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
N-piperazin-1-ylpyrimidin-4-amine
CID 91284163
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
1-tritylpiperazine
CID 11472931
N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine
CID 115230160
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
1-(2-phenyl-2-pyridin-4-ylethyl)piperazine
CID 70241433

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-piperazin-1-ylmethanimine;yttrium?
The IUPAC name of N-phenyl-1-piperazin-1-ylmethanimine;yttrium (CID 59362087) is N-phenyl-1-piperazin-1-ylmethanimine;yttrium.
What is the SMILES notation for N-phenyl-1-piperazin-1-ylmethanimine;yttrium?
The canonical SMILES for N-phenyl-1-piperazin-1-ylmethanimine;yttrium is [C-](=N/c1[c-]cccc1)\N1CCNCC1.[Y].
What is the InChIKey of N-phenyl-1-piperazin-1-ylmethanimine;yttrium?
The InChIKey is FBKCFEDVEBPZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.Y/c1-2-4-11(5-3-1)13-10-14-8-6-12-7-9-14;/h1-4,12H,6-9H2;/q-2;.
What are the key properties of N-phenyl-1-piperazin-1-ylmethanimine;yttrium?
N-phenyl-1-piperazin-1-ylmethanimine;yttrium has a molecular weight of 276.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-piperazin-1-ylmethanimine;yttrium is sourced from PubChem (CID 59362087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).