4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium)

C6H11N5Y14 — CID 160587351

IUPAC4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium)
SMILES[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1nnnn1C1CCNCC1
InChIInChI=1S/C6H11N5.14Y/c1-3-7-4-2-6(1)11-5-8-9-10-11;;;;;;;;;;;;;;/h5-7H,1-4H2;;;;;;;;;;;;;;
InChIKeyRCOJPMZCEOYSRW-UHFFFAOYSA-N
MW1397.87 g/mol
LogP-0.44
Rot. Bonds1

About 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium)

4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium) (PubChem CID 160587351) has the molecular formula C6H11N5Y14 and a molecular weight of 1397.87 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium).

Molecular Properties

Compound Name4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium)
PubChem CID160587351
Molecular FormulaC6H11N5Y14
Molecular Weight1397.87 g/mol
Exact Mass1397.78
IUPAC Name4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium)
SMILES[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1nnnn1C1CCNCC1
InChIInChI=1S/C6H11N5.14Y/c1-3-7-4-2-6(1)11-5-8-9-10-11;;;;;;;;;;;;;;/h5-7H,1-4H2;;;;;;;;;;;;;;
InChIKeyRCOJPMZCEOYSRW-UHFFFAOYSA-N
XLogP-0.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001397.87
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium)?
The IUPAC name of 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium) (CID 160587351) is 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium).
What is the SMILES notation for 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium)?
The canonical SMILES for 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium) is [Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1nnnn1C1CCNCC1.
What is the InChIKey of 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium)?
The InChIKey is RCOJPMZCEOYSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5.14Y/c1-3-7-4-2-6(1)11-5-8-9-10-11;;;;;;;;;;;;;;/h5-7H,1-4H2;;;;;;;;;;;;;;.
What are the key properties of 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium)?
4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium) has a molecular weight of 1397.87 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)piperidine;tetradecakis(yttrium) is sourced from PubChem (CID 160587351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).