piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate

C6H13F6N2P — CID 21223926

IUPACpiperidin-1-ium-1-ylidenemethanamine hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.NC=[N+]1CCCCC1
InChIInChI=1S/C6H12N2.F6P/c7-6-8-4-2-1-3-5-8;1-7(2,3,4,5)6/h6-7H,1-5H2;/q;-1/p+1
InChIKeyGJNIDPZOXOLLFL-UHFFFAOYSA-O
MW258.15 g/mol
LogP3.55
Rot. Bonds

About piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate

piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate (PubChem CID 21223926) has the molecular formula C6H13F6N2P and a molecular weight of 258.15 g/mol. Its IUPAC name is piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate.

Molecular Properties

Compound Namepiperidin-1-ium-1-ylidenemethanamine hexafluorophosphate
PubChem CID21223926
Molecular FormulaC6H13F6N2P
Molecular Weight258.15 g/mol
Exact Mass258.07
IUPAC Namepiperidin-1-ium-1-ylidenemethanamine hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.NC=[N+]1CCCCC1
InChIInChI=1S/C6H12N2.F6P/c7-6-8-4-2-1-3-5-8;1-7(2,3,4,5)6/h6-7H,1-5H2;/q;-1/p+1
InChIKeyGJNIDPZOXOLLFL-UHFFFAOYSA-O
XLogP3.55
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

1-(chloromethylidene)piperidin-1-ium
CID 13180248
(E)-N,N-di(propan-2-yl)-3-pyrrolidin-1-ium-1-ylideneprop-1-en-1-amine hexafluorophosphate
CID 11199017
lawrencium trihexafluorophosphate
CID 174730481
1-(chloromethylidene)pyrrolidin-1-ium
CID 13004353
1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate
CID 13128732
1-methylpiperidin-1-ium hexafluorophosphate
CID 140547735
2-(pyrrolidin-1-ium-1-ylidenemethyl)aniline
CID 134843249
N-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]-N-ethylethanamine hexafluorophosphate
CID 11566195
antimony(3+) trihexafluorophosphate
CID 57364004
N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)
CID 59079049
1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate
CID 71356625
cyclopentane
CID 141332554

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate?
The IUPAC name of piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate (CID 21223926) is piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate.
What is the SMILES notation for piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate?
The canonical SMILES for piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate is F[P-](F)(F)(F)(F)F.NC=[N+]1CCCCC1.
What is the InChIKey of piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate?
The InChIKey is GJNIDPZOXOLLFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2.F6P/c7-6-8-4-2-1-3-5-8;1-7(2,3,4,5)6/h6-7H,1-5H2;/q;-1/p+1.
What are the key properties of piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate?
piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate has a molecular weight of 258.15 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate is sourced from PubChem (CID 21223926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).