1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate

C9H20BF4N — CID 175449406

IUPAC1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate
SMILESCC(C)C[NH+]1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C9H19N.BF4/c1-9(2)8-10-6-4-3-5-7-10;2-1(3,4)5/h9H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyMJICWMDULLSRIU-UHFFFAOYSA-O
MW229.07 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate

1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate (PubChem CID 175449406) has the molecular formula C9H20BF4N and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate
PubChem CID175449406
Molecular FormulaC9H20BF4N
Molecular Weight229.07 g/mol
Exact Mass229.16
IUPAC Name1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate
SMILESCC(C)C[NH+]1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C9H19N.BF4/c1-9(2)8-10-6-4-3-5-7-10;2-1(3,4)5/h9H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyMJICWMDULLSRIU-UHFFFAOYSA-O
XLogP2.01
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate?
The IUPAC name of 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate (CID 175449406) is 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate is CC(C)C[NH+]1CCCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate?
The InChIKey is MJICWMDULLSRIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19N.BF4/c1-9(2)8-10-6-4-3-5-7-10;2-1(3,4)5/h9H,3-8H2,1-2H3;/q;-1/p+1.
What are the key properties of 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate?
1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate has a molecular weight of 229.07 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate is sourced from PubChem (CID 175449406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).