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

C7H12F3N — CID 52810925

IUPAC(2S,4R)-4-methyl-2-(trifluoromethyl)piperidine
SMILESC[C@@H]1CCN[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+/m1/s1
InChIKeyWAZJVLNXDYCATL-RITPCOANSA-N
MW167.17 g/mol
LogP1.94
Rot. Bonds

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

(2S,4R)-4-methyl-2-(trifluoromethyl)piperidine (PubChem CID 52810925) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (2S,4R)-4-methyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,4R)-4-methyl-2-(trifluoromethyl)piperidine
PubChem CID52810925
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(2S,4R)-4-methyl-2-(trifluoromethyl)piperidine
SMILESC[C@@H]1CCN[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+/m1/s1
InChIKeyWAZJVLNXDYCATL-RITPCOANSA-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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Related Compounds

3-Ethylpiperidine
CID 202966
4-(Trifluoromethyl)piperidine
CID 136469
2,3-Dimethylpiperidine
CID 95359
2,5-Dimethylpiperidine
CID 524018
2,4-Dimethylpiperidine
CID 95423
3-(Trifluoromethyl)piperidine
CID 2760776
2-(Trifluoromethyl)piperidine
CID 11263608
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
2,4-Dimethylpiperidine, trans-
CID 7229998
(2S,4S)-2,4-dimethylpiperidine
CID 7230000
2,3-Dimethylpiperidine, cis-
CID 6993947

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methyl-2-(trifluoromethyl)piperidine?
The IUPAC name of (2S,4R)-4-methyl-2-(trifluoromethyl)piperidine (CID 52810925) is (2S,4R)-4-methyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,4R)-4-methyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for (2S,4R)-4-methyl-2-(trifluoromethyl)piperidine is C[C@@H]1CCN[C@H](C(F)(F)F)C1.
What is the InChIKey of (2S,4R)-4-methyl-2-(trifluoromethyl)piperidine?
The InChIKey is WAZJVLNXDYCATL-RITPCOANSA-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+/m1/s1.
What are the key properties of (2S,4R)-4-methyl-2-(trifluoromethyl)piperidine?
(2S,4R)-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,4R)-4-methyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 52810925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).