potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide

C8H16BF3KN — CID 63703846

IUPACpotassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide
SMILESCC1CCN(C[B-](F)(F)F)C(C)C1.[K+]
InChIInChI=1S/C8H16BF3N.K/c1-7-3-4-13(8(2)5-7)6-9(10,11)12;/h7-8H,3-6H2,1-2H3;/q-1;+1
InChIKeyMMSPXRHHNZDXNZ-UHFFFAOYSA-N
MW233.13 g/mol
LogP-0.50
Rot. Bonds2

About potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide

potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide (PubChem CID 63703846) has the molecular formula C8H16BF3KN and a molecular weight of 233.13 g/mol. Its IUPAC name is potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide
PubChem CID63703846
Molecular FormulaC8H16BF3KN
Molecular Weight233.13 g/mol
Exact Mass233.10
IUPAC Namepotassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide
SMILESCC1CCN(C[B-](F)(F)F)C(C)C1.[K+]
InChIInChI=1S/C8H16BF3N.K/c1-7-3-4-13(8(2)5-7)6-9(10,11)12;/h7-8H,3-6H2,1-2H3;/q-1;+1
InChIKeyMMSPXRHHNZDXNZ-UHFFFAOYSA-N
XLogP-0.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide (CID 63703846) is potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide is CC1CCN(C[B-](F)(F)F)C(C)C1.[K+].
What is the InChIKey of potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide?
The InChIKey is MMSPXRHHNZDXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BF3N.K/c1-7-3-4-13(8(2)5-7)6-9(10,11)12;/h7-8H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide?
potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide has a molecular weight of 233.13 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 63703846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).