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

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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).