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

C7H12F3NO — CID 177313582

IUPAC(2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine
SMILESC[C@@H]1C[C@@H](OC(F)(F)F)CCN1
InChIInChI=1S/C7H12F3NO/c1-5-4-6(2-3-11-5)12-7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyGXEYAJMDVCNOQO-RITPCOANSA-N
MW183.17 g/mol
LogP1.66
Rot. Bonds1

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

(2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine (PubChem CID 177313582) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name(2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine
PubChem CID177313582
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine
SMILESC[C@@H]1C[C@@H](OC(F)(F)F)CCN1
InChIInChI=1S/C7H12F3NO/c1-5-4-6(2-3-11-5)12-7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyGXEYAJMDVCNOQO-RITPCOANSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(trifluoromethoxy)pyrrolidine
CID 68562745
4-methoxy-2-methylpiperidine
CID 23546928
cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 162553401
(1R)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 89263483
(2R,4R)-4-ethoxy-2-methylpiperidine
CID 89400103
O-[(2R,4R)-2-methylpiperidin-4-yl]hydroxylamine;sulfuric acid
CID 67823314
(4R)-2,4-dimethylpiperidine
CID 144551274
trifluoromethoxycyclobutane
CID 118087158
cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride
CID 175891524
1-[3-(trifluoromethoxy)cyclopentyl]ethanone
CID 138517575
2-tert-butyl-5-(trifluoromethoxy)piperidine
CID 155003843
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine?
The IUPAC name of (2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine (CID 177313582) is (2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for (2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine?
The canonical SMILES for (2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine is C[C@@H]1C[C@@H](OC(F)(F)F)CCN1.
What is the InChIKey of (2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine?
The InChIKey is GXEYAJMDVCNOQO-RITPCOANSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5-4-6(2-3-11-5)12-7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine?
(2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine has a molecular weight of 183.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 177313582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).