2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid

C10H18FNO4 — CID 142750546

IUPAC2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid
SMILESCC(C)(C)C1C(F)C(O)(O)CCN1C(=O)O
InChIInChI=1S/C10H18FNO4/c1-9(2,3)7-6(11)10(15,16)4-5-12(7)8(13)14/h6-7,15-16H,4-5H2,1-3H3,(H,13,14)
InChIKeyCMZPLALIHNMFBI-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.80
Rot. Bonds

About 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid

2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid (PubChem CID 142750546) has the molecular formula C10H18FNO4 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid
PubChem CID142750546
Molecular FormulaC10H18FNO4
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid
SMILESCC(C)(C)C1C(F)C(O)(O)CCN1C(=O)O
InChIInChI=1S/C10H18FNO4/c1-9(2,3)7-6(11)10(15,16)4-5-12(7)8(13)14/h6-7,15-16H,4-5H2,1-3H3,(H,13,14)
InChIKeyCMZPLALIHNMFBI-UHFFFAOYSA-N
XLogP0.80
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid (CID 142750546) is 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid is CC(C)(C)C1C(F)C(O)(O)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid?
The InChIKey is CMZPLALIHNMFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4/c1-9(2,3)7-6(11)10(15,16)4-5-12(7)8(13)14/h6-7,15-16H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid?
2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid has a molecular weight of 235.25 g/mol, XLogP of 0.80, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluoro-4,4-dihydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 142750546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).