[phenyl(piperidin-4-yl)methylidene]azanide;yttrium

C12H14N2Y-2 — CID 58327603

IUPAC[phenyl(piperidin-4-yl)methylidene]azanide;yttrium
SMILES[N-]=C(c1[c-]cccc1)C1CCNCC1.[Y]
InChIInChI=1S/C12H14N2.Y/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11;/h1-4,11,14H,6-9H2;/q-2;
InChIKeyDFJARNAMCOSGOO-UHFFFAOYSA-N
MW275.16 g/mol
LogP1.84
Rot. Bonds2

About [phenyl(piperidin-4-yl)methylidene]azanide;yttrium

[phenyl(piperidin-4-yl)methylidene]azanide;yttrium (PubChem CID 58327603) has the molecular formula C12H14N2Y-2 and a molecular weight of 275.16 g/mol. Its IUPAC name is [phenyl(piperidin-4-yl)methylidene]azanide;yttrium.

Molecular Properties

Compound Name[phenyl(piperidin-4-yl)methylidene]azanide;yttrium
PubChem CID58327603
Molecular FormulaC12H14N2Y-2
Molecular Weight275.16 g/mol
Exact Mass275.02
IUPAC Name[phenyl(piperidin-4-yl)methylidene]azanide;yttrium
SMILES[N-]=C(c1[c-]cccc1)C1CCNCC1.[Y]
InChIInChI=1S/C12H14N2.Y/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11;/h1-4,11,14H,6-9H2;/q-2;
InChIKeyDFJARNAMCOSGOO-UHFFFAOYSA-N
XLogP1.84
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Ketobenzimidazolyl)piperidine
CID 69400164
8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 90852966
Indole and spiropiperidine
CID 129819653
(3aR)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271931
(3aS)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271932
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
3-piperidin-4-yl-5,6-dihydro-1H-isoindole
CID 58690582
(NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium
CID 59974004
4-Piperidin-3-ylbenzimidazol-2-one
CID 67903373
2-piperidin-4-yl-2H-indole
CID 69374500
2,3,4,4a,5,6-hexahydro-1H-pyrido[3,4-b]indole
CID 69397600
2,11,12-Triazatetracyclo[7.6.1.05,16.010,14]hexadeca-7,9(16),10,12,14-pentaene
CID 70474514

Frequently Asked Questions

What is the IUPAC name of [phenyl(piperidin-4-yl)methylidene]azanide;yttrium?
The IUPAC name of [phenyl(piperidin-4-yl)methylidene]azanide;yttrium (CID 58327603) is [phenyl(piperidin-4-yl)methylidene]azanide;yttrium.
What is the SMILES notation for [phenyl(piperidin-4-yl)methylidene]azanide;yttrium?
The canonical SMILES for [phenyl(piperidin-4-yl)methylidene]azanide;yttrium is [N-]=C(c1[c-]cccc1)C1CCNCC1.[Y].
What is the InChIKey of [phenyl(piperidin-4-yl)methylidene]azanide;yttrium?
The InChIKey is DFJARNAMCOSGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.Y/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11;/h1-4,11,14H,6-9H2;/q-2;.
What are the key properties of [phenyl(piperidin-4-yl)methylidene]azanide;yttrium?
[phenyl(piperidin-4-yl)methylidene]azanide;yttrium has a molecular weight of 275.16 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(piperidin-4-yl)methylidene]azanide;yttrium is sourced from PubChem (CID 58327603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).