2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine

C11H22FNO — CID 167076250

IUPAC2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine
SMILESCOC1CC(F)C(C(C)(C)C)N(C)C1
InChIInChI=1S/C11H22FNO/c1-11(2,3)10-9(12)6-8(14-5)7-13(10)4/h8-10H,6-7H2,1-5H3
InChIKeySPQIVHHHLMERKY-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.09
Rot. Bonds1

About 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine

2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine (PubChem CID 167076250) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine.

Molecular Properties

Compound Name2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine
PubChem CID167076250
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine
SMILESCOC1CC(F)C(C(C)(C)C)N(C)C1
InChIInChI=1S/C11H22FNO/c1-11(2,3)10-9(12)6-8(14-5)7-13(10)4/h8-10H,6-7H2,1-5H3
InChIKeySPQIVHHHLMERKY-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine?
The IUPAC name of 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine (CID 167076250) is 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine.
What is the SMILES notation for 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine?
The canonical SMILES for 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine is COC1CC(F)C(C(C)(C)C)N(C)C1.
What is the InChIKey of 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine?
The InChIKey is SPQIVHHHLMERKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-11(2,3)10-9(12)6-8(14-5)7-13(10)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine?
2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine has a molecular weight of 203.30 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine is sourced from PubChem (CID 167076250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).