4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine

C11H22FNO — CID 176833984

IUPAC4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine
SMILESCOC1CNC(C)C(F)C1C(C)(C)C
InChIInChI=1S/C11H22FNO/c1-7-10(12)9(11(2,3)4)8(14-5)6-13-7/h7-10,13H,6H2,1-5H3
InChIKeyUIZIHYWPDWIFIY-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.99
Rot. Bonds1

About 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine

4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine (PubChem CID 176833984) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine
PubChem CID176833984
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine
SMILESCOC1CNC(C)C(F)C1C(C)(C)C
InChIInChI=1S/C11H22FNO/c1-7-10(12)9(11(2,3)4)8(14-5)6-13-7/h7-10,13H,6H2,1-5H3
InChIKeyUIZIHYWPDWIFIY-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine?
The IUPAC name of 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine (CID 176833984) is 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine.
What is the SMILES notation for 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine?
The canonical SMILES for 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine is COC1CNC(C)C(F)C1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine?
The InChIKey is UIZIHYWPDWIFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-7-10(12)9(11(2,3)4)8(14-5)6-13-7/h7-10,13H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine?
4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine has a molecular weight of 203.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine is sourced from PubChem (CID 176833984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).