1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine

C12H24FN — CID 175425681

IUPAC1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine
SMILESCCC1(CF)CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H24FN/c1-5-12(9-13)7-6-8-14(10-12)11(2,3)4/h5-10H2,1-4H3
InChIKeyDUWYKPGSNGFDEZ-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.25
Rot. Bonds2

About 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine

1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine (PubChem CID 175425681) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine
PubChem CID175425681
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine
SMILESCCC1(CF)CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H24FN/c1-5-12(9-13)7-6-8-14(10-12)11(2,3)4/h5-10H2,1-4H3
InChIKeyDUWYKPGSNGFDEZ-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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Related Compounds

1-tert-butyl-3,3-dimethylpiperidine
CID 14356856
ethane;1-ethyl-1-(fluoromethyl)cyclohexane
CID 142943476
7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane
CID 118001208
3-(aminomethyl)-1-tert-butylpiperidin-3-ol
CID 115017167
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
CID 157050293
N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine
CID 135224586
2-tert-butyl-9-methyl-2-azaspiro[5.5]undecane
CID 134582203
8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane
CID 159153104
(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
CID 115022739
2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine
CID 115014342
7-tert-butyl-4-ethyl-4,7-diazaspiro[2.5]octane
CID 166882224
1-tert-butyl-3-ethyl-3-methylpiperazine
CID 64920009

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine?
The IUPAC name of 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine (CID 175425681) is 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine?
The canonical SMILES for 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine is CCC1(CF)CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine?
The InChIKey is DUWYKPGSNGFDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-5-12(9-13)7-6-8-14(10-12)11(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine?
1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine 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 1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine is sourced from PubChem (CID 175425681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).