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

C19H21F3N2O — CID 168826833

IUPAC(2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1cccnc1[C@@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1
InChIInChI=1S/C19H21F3N2O/c1-12-4-3-9-23-17(12)16-11-18(25,10-13(2)24-16)14-5-7-15(8-6-14)19(20,21)22/h3-9,13,16,24-25H,10-11H2,1-2H3/t13-,16-,18?/m0/s1
InChIKeyOOPSFGUYJVLXNA-VKCAHTQSSA-N
MW350.38 g/mol
LogP4.11
Rot. Bonds2

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

(2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826833) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826833
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name(2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1cccnc1[C@@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1
InChIInChI=1S/C19H21F3N2O/c1-12-4-3-9-23-17(12)16-11-18(25,10-13(2)24-16)14-5-7-15(8-6-14)19(20,21)22/h3-9,13,16,24-25H,10-11H2,1-2H3/t13-,16-,18?/m0/s1
InChIKeyOOPSFGUYJVLXNA-VKCAHTQSSA-N
XLogP4.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826757
(2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol
CID 168826647
(2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826693
(2S,6S)-2-(2-cyclopropylpyrimidin-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826702
(2S,6S)-2-methyl-6-(1,2-oxazol-3-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826686
7-[(2S,6S)-4-hydroxy-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-yl]-3H-1,3-benzoxazol-2-one
CID 168826815
(2S,6S)-2-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826966
(2S,6S)-2-methyl-6-[3-(oxan-4-yl)-1H-pyrazol-5-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826834
(2R)-3-[4-[(2S,6S)-4-hydroxy-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-yl]triazol-1-yl]propane-1,2-diol
CID 168826612
(2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol
CID 177304115
2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol
CID 170108311
(2S,6S)-2-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826735

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826833) is (2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is Cc1cccnc1[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-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is OOPSFGUYJVLXNA-VKCAHTQSSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-12-4-3-9-23-17(12)16-11-18(25,10-13(2)24-16)14-5-7-15(8-6-14)19(20,21)22/h3-9,13,16,24-25H,10-11H2,1-2H3/t13-,16-,18?/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
(2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 350.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168826833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).