1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate

C9H20BF4NO — CID 134716201

IUPAC1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate
SMILESCOCC[N+]1(C)CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C9H20NO.BF4/c1-10(8-9-11-2)6-4-3-5-7-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1
InChIKeySBBKQYBGZIGFPJ-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate

1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate (PubChem CID 134716201) has the molecular formula C9H20BF4NO and a molecular weight of 245.07 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate
PubChem CID134716201
Molecular FormulaC9H20BF4NO
Molecular Weight245.07 g/mol
Exact Mass245.16
IUPAC Name1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate
SMILESCOCC[N+]1(C)CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C9H20NO.BF4/c1-10(8-9-11-2)6-4-3-5-7-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1
InChIKeySBBKQYBGZIGFPJ-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate?
The IUPAC name of 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate (CID 134716201) is 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate is COCC[N+]1(C)CCCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate?
The InChIKey is SBBKQYBGZIGFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO.BF4/c1-10(8-9-11-2)6-4-3-5-7-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1.
What are the key properties of 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate?
1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate has a molecular weight of 245.07 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methylpiperidin-1-ium tetrafluoroborate is sourced from PubChem (CID 134716201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).