3-methyl-1-oxido-4-(trifluoromethyl)piperidine

C7H11F3NO- — CID 163672332

IUPAC3-methyl-1-oxido-4-(trifluoromethyl)piperidine
SMILESCC1CN([O-])CCC1C(F)(F)F
InChIInChI=1S/C7H11F3NO/c1-5-4-11(12)3-2-6(5)7(8,9)10/h5-6H,2-4H2,1H3/q-1
InChIKeyQGHPCMFJGSCKBT-UHFFFAOYSA-N
MW182.16 g/mol
LogP2.00
Rot. Bonds

About 3-methyl-1-oxido-4-(trifluoromethyl)piperidine

3-methyl-1-oxido-4-(trifluoromethyl)piperidine (PubChem CID 163672332) has the molecular formula C7H11F3NO- and a molecular weight of 182.16 g/mol. Its IUPAC name is 3-methyl-1-oxido-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-oxido-4-(trifluoromethyl)piperidine
PubChem CID163672332
Molecular FormulaC7H11F3NO-
Molecular Weight182.16 g/mol
Exact Mass182.08
IUPAC Name3-methyl-1-oxido-4-(trifluoromethyl)piperidine
SMILESCC1CN([O-])CCC1C(F)(F)F
InChIInChI=1S/C7H11F3NO/c1-5-4-11(12)3-2-6(5)7(8,9)10/h5-6H,2-4H2,1H3/q-1
InChIKeyQGHPCMFJGSCKBT-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxido-4-(trifluoromethyl)piperidine?
The IUPAC name of 3-methyl-1-oxido-4-(trifluoromethyl)piperidine (CID 163672332) is 3-methyl-1-oxido-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-methyl-1-oxido-4-(trifluoromethyl)piperidine?
The canonical SMILES for 3-methyl-1-oxido-4-(trifluoromethyl)piperidine is CC1CN([O-])CCC1C(F)(F)F.
What is the InChIKey of 3-methyl-1-oxido-4-(trifluoromethyl)piperidine?
The InChIKey is QGHPCMFJGSCKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3NO/c1-5-4-11(12)3-2-6(5)7(8,9)10/h5-6H,2-4H2,1H3/q-1.
What are the key properties of 3-methyl-1-oxido-4-(trifluoromethyl)piperidine?
3-methyl-1-oxido-4-(trifluoromethyl)piperidine has a molecular weight of 182.16 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxido-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 163672332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).