4-tert-butyl-3-fluoro-1-methylpiperidine

C10H20FN — CID 58286864

IUPAC4-tert-butyl-3-fluoro-1-methylpiperidine
SMILESCN1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C10H20FN/c1-10(2,3)8-5-6-12(4)7-9(8)11/h8-9H,5-7H2,1-4H3
InChIKeyYFNPEQQFFJACBQ-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.32
Rot. Bonds

About 4-tert-butyl-3-fluoro-1-methylpiperidine

4-tert-butyl-3-fluoro-1-methylpiperidine (PubChem CID 58286864) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-3-fluoro-1-methylpiperidine
PubChem CID58286864
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name4-tert-butyl-3-fluoro-1-methylpiperidine
SMILESCN1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C10H20FN/c1-10(2,3)8-5-6-12(4)7-9(8)11/h8-9H,5-7H2,1-4H3
InChIKeyYFNPEQQFFJACBQ-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluoro-1-methylpiperidine?
The IUPAC name of 4-tert-butyl-3-fluoro-1-methylpiperidine (CID 58286864) is 4-tert-butyl-3-fluoro-1-methylpiperidine.
What is the SMILES notation for 4-tert-butyl-3-fluoro-1-methylpiperidine?
The canonical SMILES for 4-tert-butyl-3-fluoro-1-methylpiperidine is CN1CCC(C(C)(C)C)C(F)C1.
What is the InChIKey of 4-tert-butyl-3-fluoro-1-methylpiperidine?
The InChIKey is YFNPEQQFFJACBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2,3)8-5-6-12(4)7-9(8)11/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-3-fluoro-1-methylpiperidine?
4-tert-butyl-3-fluoro-1-methylpiperidine has a molecular weight of 173.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluoro-1-methylpiperidine is sourced from PubChem (CID 58286864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).