(NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium

C12H15N2OY- — CID 59974004

IUPAC(NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium
SMILESO/N=C(/c1[c-]cccc1)C1CCNCC1.[Y]
InChIInChI=1S/C12H15N2O.Y/c15-14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-4,11,13,15H,6-9H2;/q-1;/b14-12-;
InChIKeyQGPPYQZABRUQSJ-CTMPBGLUSA-N
MW292.17 g/mol
LogP1.66
Rot. Bonds2

About (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium

(NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium (PubChem CID 59974004) has the molecular formula C12H15N2OY- and a molecular weight of 292.17 g/mol. Its IUPAC name is (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium.

Molecular Properties

Compound Name(NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium
PubChem CID59974004
Molecular FormulaC12H15N2OY-
Molecular Weight292.17 g/mol
Exact Mass292.02
IUPAC Name(NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium
SMILESO/N=C(/c1[c-]cccc1)C1CCNCC1.[Y]
InChIInChI=1S/C12H15N2O.Y/c15-14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-4,11,13,15H,6-9H2;/q-1;/b14-12-;
InChIKeyQGPPYQZABRUQSJ-CTMPBGLUSA-N
XLogP1.66
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(5-fluoro-1lambda3-iodacyclohexa-1,3,5-trien-2-yl)-piperidin-4-ylmethylidene]hydroxylamine
CID 143816419
[Phenyl(piperidin-4-yl)methylidene]azanide;yttrium
CID 58327603
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
(6Z)-N,2-dimethyl-6-(2-piperidin-3-ylethylidene)cyclohexa-2,4-dien-1-imine
CID 169696726

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium?
The IUPAC name of (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium (CID 59974004) is (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium.
What is the SMILES notation for (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium?
The canonical SMILES for (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium is O/N=C(/c1[c-]cccc1)C1CCNCC1.[Y].
What is the InChIKey of (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium?
The InChIKey is QGPPYQZABRUQSJ-CTMPBGLUSA-N. The full InChI is InChI=1S/C12H15N2O.Y/c15-14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-4,11,13,15H,6-9H2;/q-1;/b14-12-;.
What are the key properties of (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium?
(NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium has a molecular weight of 292.17 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium is sourced from PubChem (CID 59974004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).