1-methylpiperidin-1-ium hexafluorophosphate

C6H14F6NP — CID 140547735

IUPAC1-methylpiperidin-1-ium hexafluorophosphate
SMILESC[NH+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H13N.F6P/c1-7-5-3-2-4-6-7;1-7(2,3,4,5)6/h2-6H2,1H3;/q;-1/p+1
InChIKeyVOTWAQMVXXXNES-UHFFFAOYSA-O
MW245.15 g/mol
LogP3.07
Rot. Bonds

About 1-methylpiperidin-1-ium hexafluorophosphate

1-methylpiperidin-1-ium hexafluorophosphate (PubChem CID 140547735) has the molecular formula C6H14F6NP and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-methylpiperidin-1-ium hexafluorophosphate.

Molecular Properties

Compound Name1-methylpiperidin-1-ium hexafluorophosphate
PubChem CID140547735
Molecular FormulaC6H14F6NP
Molecular Weight245.15 g/mol
Exact Mass245.08
IUPAC Name1-methylpiperidin-1-ium hexafluorophosphate
SMILESC[NH+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H13N.F6P/c1-7-5-3-2-4-6-7;1-7(2,3,4,5)6/h2-6H2,1H3;/q;-1/p+1
InChIKeyVOTWAQMVXXXNES-UHFFFAOYSA-O
XLogP3.07
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-1-ium hexafluorophosphate?
The IUPAC name of 1-methylpiperidin-1-ium hexafluorophosphate (CID 140547735) is 1-methylpiperidin-1-ium hexafluorophosphate.
What is the SMILES notation for 1-methylpiperidin-1-ium hexafluorophosphate?
The canonical SMILES for 1-methylpiperidin-1-ium hexafluorophosphate is C[NH+]1CCCCC1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-methylpiperidin-1-ium hexafluorophosphate?
The InChIKey is VOTWAQMVXXXNES-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N.F6P/c1-7-5-3-2-4-6-7;1-7(2,3,4,5)6/h2-6H2,1H3;/q;-1/p+1.
What are the key properties of 1-methylpiperidin-1-ium hexafluorophosphate?
1-methylpiperidin-1-ium hexafluorophosphate has a molecular weight of 245.15 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-1-ium hexafluorophosphate is sourced from PubChem (CID 140547735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).