(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine

C7H12F3N — CID 95366782

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

About (2S,3R)-2-methyl-3-(trifluoromethyl)piperidine

(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine (PubChem CID 95366782) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
PubChem CID95366782
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
SMILESC[C@@H]1NCCC[C@H]1C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5-6(7(8,9)10)3-2-4-11-5/h5-6,11H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyZIAWRZNFUGPXRN-NTSWFWBYSA-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

(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine
CID 98041373
3-tert-butyl-2-methylpiperidine
CID 91446438
(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine
CID 166825155
2-(3,5-dimethylcyclohexyl)-3-(trifluoromethyl)piperidine
CID 106779481
(3R)-2,3-dimethylpiperidine
CID 118133422
2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine
CID 175408092
2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine
CID 106778789
1-methyl-2-(trifluoromethyl)cyclohexane
CID 18711399
2-heptyl-3-(trifluoromethyl)piperidine
CID 106778365
(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690
(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
CID 138991310
2-methylpyrrolidine
CID 142041388

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-(trifluoromethyl)piperidine?
The IUPAC name of (2S,3R)-2-methyl-3-(trifluoromethyl)piperidine (CID 95366782) is (2S,3R)-2-methyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,3R)-2-methyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for (2S,3R)-2-methyl-3-(trifluoromethyl)piperidine is C[C@@H]1NCCC[C@H]1C(F)(F)F.
What is the InChIKey of (2S,3R)-2-methyl-3-(trifluoromethyl)piperidine?
The InChIKey is ZIAWRZNFUGPXRN-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5-6(7(8,9)10)3-2-4-11-5/h5-6,11H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-3-(trifluoromethyl)piperidine?
(2S,3R)-2-methyl-3-(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,3R)-2-methyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 95366782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).