tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate

C11H20FNO2 — CID 86346254

IUPACtert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate
SMILESCC1(F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H20FNO2/c1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13/h5-8H2,1-4H3
InChIKeyDIWUMINDALALEH-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.75
Rot. Bonds

About tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate

tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate (PubChem CID 86346254) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate
PubChem CID86346254
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nametert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate
SMILESCC1(F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H20FNO2/c1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13/h5-8H2,1-4H3
InChIKeyDIWUMINDALALEH-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate (CID 86346254) is tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate is CC1(F)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate?
The InChIKey is DIWUMINDALALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13/h5-8H2,1-4H3.
What are the key properties of tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate?
tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate has a molecular weight of 217.28 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 86346254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).