2-fluoro-1,4,6-trimethylpiperidine

C8H16FN — CID 137439306

IUPAC2-fluoro-1,4,6-trimethylpiperidine
SMILESCC1CC(C)N(C)C(F)C1
InChIInChI=1S/C8H16FN/c1-6-4-7(2)10(3)8(9)5-6/h6-8H,4-5H2,1-3H3
InChIKeyFRGPYQOZEVKBFB-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.03
Rot. Bonds

About 2-fluoro-1,4,6-trimethylpiperidine

2-fluoro-1,4,6-trimethylpiperidine (PubChem CID 137439306) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 2-fluoro-1,4,6-trimethylpiperidine.

Molecular Properties

Compound Name2-fluoro-1,4,6-trimethylpiperidine
PubChem CID137439306
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name2-fluoro-1,4,6-trimethylpiperidine
SMILESCC1CC(C)N(C)C(F)C1
InChIInChI=1S/C8H16FN/c1-6-4-7(2)10(3)8(9)5-6/h6-8H,4-5H2,1-3H3
InChIKeyFRGPYQOZEVKBFB-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4,6-trimethylpiperidine?
The IUPAC name of 2-fluoro-1,4,6-trimethylpiperidine (CID 137439306) is 2-fluoro-1,4,6-trimethylpiperidine.
What is the SMILES notation for 2-fluoro-1,4,6-trimethylpiperidine?
The canonical SMILES for 2-fluoro-1,4,6-trimethylpiperidine is CC1CC(C)N(C)C(F)C1.
What is the InChIKey of 2-fluoro-1,4,6-trimethylpiperidine?
The InChIKey is FRGPYQOZEVKBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6-4-7(2)10(3)8(9)5-6/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-1,4,6-trimethylpiperidine?
2-fluoro-1,4,6-trimethylpiperidine has a molecular weight of 145.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4,6-trimethylpiperidine is sourced from PubChem (CID 137439306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).