(2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C17H19F3N2O2 — CID 168826693

IUPAC(2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1nocc1[C@@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1
InChIInChI=1S/C17H19F3N2O2/c1-10-7-16(23,8-15(21-10)14-9-24-22-11(14)2)12-3-5-13(6-4-12)17(18,19)20/h3-6,9-10,15,21,23H,7-8H2,1-2H3/t10-,15-,16?/m0/s1
InChIKeyBSAGOTGLRIHCEB-HVMSISMYSA-N
MW340.35 g/mol
LogP3.70
Rot. Bonds2

About (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

(2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826693) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826693
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1nocc1[C@@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1
InChIInChI=1S/C17H19F3N2O2/c1-10-7-16(23,8-15(21-10)14-9-24-22-11(14)2)12-3-5-13(6-4-12)17(18,19)20/h3-6,9-10,15,21,23H,7-8H2,1-2H3/t10-,15-,16?/m0/s1
InChIKeyBSAGOTGLRIHCEB-HVMSISMYSA-N
XLogP3.70
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826693) is (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is Cc1nocc1[C@@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1.
What is the InChIKey of (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is BSAGOTGLRIHCEB-HVMSISMYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-10-7-16(23,8-15(21-10)14-9-24-22-11(14)2)12-3-5-13(6-4-12)17(18,19)20/h3-6,9-10,15,21,23H,7-8H2,1-2H3/t10-,15-,16?/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
(2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 340.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168826693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).