N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate

C12H22F6N3P — CID 11810338

IUPACN-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate
SMILESC(/N=C/N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C12H22N3.F6P/c1-3-7-14(8-4-1)11-13-12-15-9-5-2-6-10-15;1-7(2,3,4,5)6/h11-12H,1-10H2;/q+1;-1
InChIKeyQZXJSAHFQOEOAQ-UHFFFAOYSA-N
MW353.29 g/mol
LogP5.11
Rot. Bonds2

About N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate

N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate (PubChem CID 11810338) has the molecular formula C12H22F6N3P and a molecular weight of 353.29 g/mol. Its IUPAC name is N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate.

Molecular Properties

Compound NameN-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate
PubChem CID11810338
Molecular FormulaC12H22F6N3P
Molecular Weight353.29 g/mol
Exact Mass353.15
IUPAC NameN-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate
SMILESC(/N=C/N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C12H22N3.F6P/c1-3-7-14(8-4-1)11-13-12-15-9-5-2-6-10-15;1-7(2,3,4,5)6/h11-12H,1-10H2;/q+1;-1
InChIKeyQZXJSAHFQOEOAQ-UHFFFAOYSA-N
XLogP5.11
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.29
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate?
The IUPAC name of N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate (CID 11810338) is N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate.
What is the SMILES notation for N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate?
The canonical SMILES for N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate is C(/N=C/N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate?
The InChIKey is QZXJSAHFQOEOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N3.F6P/c1-3-7-14(8-4-1)11-13-12-15-9-5-2-6-10-15;1-7(2,3,4,5)6/h11-12H,1-10H2;/q+1;-1.
What are the key properties of N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate?
N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate has a molecular weight of 353.29 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ium-1-ylidenemethyl)-1-piperidin-1-ylmethanimine hexafluorophosphate is sourced from PubChem (CID 11810338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).