(2S)-4-methyl-2-(trifluoromethyl)piperidine

C7H12F3N — CID 161454628

IUPAC(2S)-4-methyl-2-(trifluoromethyl)piperidine
SMILESCC1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h5-6,11H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyWAZJVLNXDYCATL-GDVGLLTNSA-N
MW167.17 g/mol
LogP1.94
Rot. Bonds

About (2S)-4-methyl-2-(trifluoromethyl)piperidine

(2S)-4-methyl-2-(trifluoromethyl)piperidine (PubChem CID 161454628) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (2S)-4-methyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S)-4-methyl-2-(trifluoromethyl)piperidine
PubChem CID161454628
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(2S)-4-methyl-2-(trifluoromethyl)piperidine
SMILESCC1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h5-6,11H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyWAZJVLNXDYCATL-GDVGLLTNSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(trifluoromethyl)piperidine?
The IUPAC name of (2S)-4-methyl-2-(trifluoromethyl)piperidine (CID 161454628) is (2S)-4-methyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for (2S)-4-methyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for (2S)-4-methyl-2-(trifluoromethyl)piperidine is CC1CCN[C@H](C(F)(F)F)C1.
What is the InChIKey of (2S)-4-methyl-2-(trifluoromethyl)piperidine?
The InChIKey is WAZJVLNXDYCATL-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h5-6,11H,2-4H2,1H3/t5?,6-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(trifluoromethyl)piperidine?
(2S)-4-methyl-2-(trifluoromethyl)piperidine has a molecular weight of 167.17 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 161454628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).