(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine

C13H16F3N — CID 134970046

IUPAC(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine
SMILESC[C@@H]1CC[C@H](C(F)(F)F)[C@H](c2ccccc2)N1
InChIInChI=1S/C13H16F3N/c1-9-7-8-11(13(14,15)16)12(17-9)10-5-3-2-4-6-10/h2-6,9,11-12,17H,7-8H2,1H3/t9-,11+,12+/m1/s1
InChIKeyNSFXDYPWJNSNLB-USWWRNFRSA-N
MW243.27 g/mol
LogP3.68
Rot. Bonds1

About (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine

(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine (PubChem CID 134970046) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine
PubChem CID134970046
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine
SMILESC[C@@H]1CC[C@H](C(F)(F)F)[C@H](c2ccccc2)N1
InChIInChI=1S/C13H16F3N/c1-9-7-8-11(13(14,15)16)12(17-9)10-5-3-2-4-6-10/h2-6,9,11-12,17H,7-8H2,1H3/t9-,11+,12+/m1/s1
InChIKeyNSFXDYPWJNSNLB-USWWRNFRSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S,6S)-6-methyl-2-phenylpiperidin-3-amine
CID 21069315
6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
CID 3834468
(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
CID 1426755
(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690
(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine
CID 15696220
5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide
CID 66219910
(2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 122219659
2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide
CID 66220159
(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine
CID 164752777
(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine
CID 97303974
6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione
CID 75307773
(2S,6S)-3,3,6-trimethyl-2-phenylpiperidine
CID 138970706

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine?
The IUPAC name of (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine (CID 134970046) is (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine is C[C@@H]1CC[C@H](C(F)(F)F)[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine?
The InChIKey is NSFXDYPWJNSNLB-USWWRNFRSA-N. The full InChI is InChI=1S/C13H16F3N/c1-9-7-8-11(13(14,15)16)12(17-9)10-5-3-2-4-6-10/h2-6,9,11-12,17H,7-8H2,1H3/t9-,11+,12+/m1/s1.
What are the key properties of (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine?
(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 134970046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).