4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)

C13H18FNY5 — CID 159623116

IUPAC4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)
SMILESCC1(C)CNCCC1c1ccc(F)cc1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H18FN.5Y/c1-13(2)9-15-8-7-12(13)10-3-5-11(14)6-4-10;;;;;/h3-6,12,15H,7-9H2,1-2H3;;;;;
InChIKeyMODKEIIIEDPKNR-UHFFFAOYSA-N
MW651.82 g/mol
LogP2.92
Rot. Bonds1

About 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)

4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium) (PubChem CID 159623116) has the molecular formula C13H18FNY5 and a molecular weight of 651.82 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium).

Molecular Properties

Compound Name4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)
PubChem CID159623116
Molecular FormulaC13H18FNY5
Molecular Weight651.82 g/mol
Exact Mass651.67
IUPAC Name4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)
SMILESCC1(C)CNCCC1c1ccc(F)cc1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H18FN.5Y/c1-13(2)9-15-8-7-12(13)10-3-5-11(14)6-4-10;;;;;/h3-6,12,15H,7-9H2,1-2H3;;;;;
InChIKeyMODKEIIIEDPKNR-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(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

ethane;4-(4-fluorophenyl)piperidine
CID 144692128
N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235564
4-(4-chlorophenyl)-3,3-difluoropiperidine
CID 67962435
5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane
CID 79432872
2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
CID 81416147
4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride
CID 22495691
(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235555
3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
CID 79437998
6-(4-fluorophenyl)-1,2,2-trimethylpiperazine
CID 166046489
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
N-(2-chloro-6-fluorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235536

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)?
The IUPAC name of 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium) (CID 159623116) is 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium).
What is the SMILES notation for 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)?
The canonical SMILES for 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium) is CC1(C)CNCCC1c1ccc(F)cc1.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)?
The InChIKey is MODKEIIIEDPKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN.5Y/c1-13(2)9-15-8-7-12(13)10-3-5-11(14)6-4-10;;;;;/h3-6,12,15H,7-9H2,1-2H3;;;;;.
What are the key properties of 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)?
4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium) has a molecular weight of 651.82 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium) is sourced from PubChem (CID 159623116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).