3,3-dimethyl-4-(trifluoromethyl)piperidine

C8H14F3N — CID 86775311

IUPAC3,3-dimethyl-4-(trifluoromethyl)piperidine
SMILESCC1(C)CNCCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-7(2)5-12-4-3-6(7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyQRDBGSBWGYDUMV-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds

About 3,3-dimethyl-4-(trifluoromethyl)piperidine

3,3-dimethyl-4-(trifluoromethyl)piperidine (PubChem CID 86775311) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3,3-dimethyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-4-(trifluoromethyl)piperidine
PubChem CID86775311
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3,3-dimethyl-4-(trifluoromethyl)piperidine
SMILESCC1(C)CNCCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-7(2)5-12-4-3-6(7)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyQRDBGSBWGYDUMV-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine
CID 130531947
1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine
CID 114235704
4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)
CID 159623116
3-cyclohexyl-4-(trifluoromethyl)piperidine-3-carboxylic acid
CID 162547460
4-tert-butyl-3,3-dimethylpyrrolidine
CID 121207422
3,3-dimethyl-4-(2-methylpropoxy)piperidine
CID 130533487
3,3-dimethyl-4-propan-2-yloxypiperidine
CID 130533491
3-methylpiperidine-3,4-diol
CID 70672277
6,6-dimethylazepan-4-amine
CID 123426306
[(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 96868590
1-(3,3-dimethylpiperidin-4-yl)oxy-2-methylpropan-2-ol
CID 130533511
4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride
CID 22495691

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 3,3-dimethyl-4-(trifluoromethyl)piperidine (CID 86775311) is 3,3-dimethyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 3,3-dimethyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 3,3-dimethyl-4-(trifluoromethyl)piperidine is CC1(C)CNCCC1C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-4-(trifluoromethyl)piperidine?
The InChIKey is QRDBGSBWGYDUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-7(2)5-12-4-3-6(7)8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(trifluoromethyl)piperidine?
3,3-dimethyl-4-(trifluoromethyl)piperidine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 86775311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).