4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine

C12H24FN — CID 58530447

IUPAC4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine
SMILESCCN1CCC(F)(CC(C)(C)C)CC1
InChIInChI=1S/C12H24FN/c1-5-14-8-6-12(13,7-9-14)10-11(2,3)4/h5-10H2,1-4H3
InChIKeyVCGBXRIDYQUCLW-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.25
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine

4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine (PubChem CID 58530447) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine
PubChem CID58530447
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine
SMILESCCN1CCC(F)(CC(C)(C)C)CC1
InChIInChI=1S/C12H24FN/c1-5-14-8-6-12(13,7-9-14)10-11(2,3)4/h5-10H2,1-4H3
InChIKeyVCGBXRIDYQUCLW-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine (CID 58530447) is 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine is CCN1CCC(F)(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine?
The InChIKey is VCGBXRIDYQUCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-5-14-8-6-12(13,7-9-14)10-11(2,3)4/h5-10H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine?
4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine has a molecular weight of 201.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-ethyl-4-fluoropiperidine is sourced from PubChem (CID 58530447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).