dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium

C15H18FN3Y-2 — CID 166108406

IUPACdimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium
SMILESC[N-]C.N#CC(=C1CC[N-]CC1)c1ccc(F)cc1.[Y]
InChIInChI=1S/C13H12FN2.C2H6N.Y/c14-12-3-1-10(2-4-12)13(9-15)11-5-7-16-8-6-11;1-3-2;/h1-4H,5-8H2;1-2H3;/q2*-1;
InChIKeyMPFKUTWJVUCGAH-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.89
Rot. Bonds1

About dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium

dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium (PubChem CID 166108406) has the molecular formula C15H18FN3Y-2 and a molecular weight of 348.23 g/mol. Its IUPAC name is dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium.

Molecular Properties

Compound Namedimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium
PubChem CID166108406
Molecular FormulaC15H18FN3Y-2
Molecular Weight348.23 g/mol
Exact Mass348.06
IUPAC Namedimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium
SMILESC[N-]C.N#CC(=C1CC[N-]CC1)c1ccc(F)cc1.[Y]
InChIInChI=1S/C13H12FN2.C2H6N.Y/c14-12-3-1-10(2-4-12)13(9-15)11-5-7-16-8-6-11;1-3-2;/h1-4H,5-8H2;1-2H3;/q2*-1;
InChIKeyMPFKUTWJVUCGAH-UHFFFAOYSA-N
XLogP3.89
TPSA51.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-4-phenylpiperidine-4-carbonitrile
CID 62513
3-(3-cyanophenyl)-N-n-propylpiperidine
CID 5119
S(-)-3-(1-Propyl-3-piperidinyl)benzonitrile hydrochloride
CID 11957534
3-[(3R)-1-propylpiperidin-3-yl]benzonitrile
CID 6603807
3-((S)-1-Propyl-piperidin-3-yl)-benzonitrile
CID 9816005
3-((S)-1-Isopropyl-piperidin-3-yl)-benzonitrile
CID 10105186
3-((S)-1-Allyl-piperidin-3-yl)-benzonitrile
CID 10242819
3-((S)-1-Methyl-piperidin-3-yl)-benzonitrile
CID 10330427
3-((S)-1-Ethyl-piperidin-3-yl)-benzonitrile
CID 10353207
3-((S)-1-Butyl-piperidin-3-yl)-benzonitrile
CID 10354398
1-(3-Phenylpropyl)piperidine
CID 11171707
1-Isobutyl-4-phenylpiperidine-4-carbonitrile
CID 13046858

Frequently Asked Questions

What is the IUPAC name of dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium?
The IUPAC name of dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium (CID 166108406) is dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium.
What is the SMILES notation for dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium?
The canonical SMILES for dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium is C[N-]C.N#CC(=C1CC[N-]CC1)c1ccc(F)cc1.[Y].
What is the InChIKey of dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium?
The InChIKey is MPFKUTWJVUCGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN2.C2H6N.Y/c14-12-3-1-10(2-4-12)13(9-15)11-5-7-16-8-6-11;1-3-2;/h1-4H,5-8H2;1-2H3;/q2*-1;.
What are the key properties of dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium?
dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium has a molecular weight of 348.23 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;2-(4-fluorophenyl)-2-piperidin-1-id-4-ylideneacetonitrile;yttrium is sourced from PubChem (CID 166108406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).