potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate

C11H17FKNO4 — CID 126811968

IUPACpotassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(C(=O)[O-])CC1.[K+]
InChIInChI=1S/C11H18FNO4.K/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15;/h4-7H2,1-3H3,(H,14,15);/q;+1/p-1
InChIKeyOSKAWMLVHVKKDC-UHFFFAOYSA-M
MW285.36 g/mol
LogP-2.52
Rot. Bonds1

About potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate

potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate (PubChem CID 126811968) has the molecular formula C11H17FKNO4 and a molecular weight of 285.36 g/mol. Its IUPAC name is potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namepotassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
PubChem CID126811968
Molecular FormulaC11H17FKNO4
Molecular Weight285.36 g/mol
Exact Mass285.08
IUPAC Namepotassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(C(=O)[O-])CC1.[K+]
InChIInChI=1S/C11H18FNO4.K/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15;/h4-7H2,1-3H3,(H,14,15);/q;+1/p-1
InChIKeyOSKAWMLVHVKKDC-UHFFFAOYSA-M
XLogP-2.52
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 5-2.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
The IUPAC name of potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate (CID 126811968) is potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
The canonical SMILES for potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(C(=O)[O-])CC1.[K+].
What is the InChIKey of potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
The InChIKey is OSKAWMLVHVKKDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18FNO4.K/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15;/h4-7H2,1-3H3,(H,14,15);/q;+1/p-1.
What are the key properties of potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate has a molecular weight of 285.36 g/mol, XLogP of -2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 126811968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).