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

C16H18ClF3N4O — CID 168826846

IUPAC(2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2ccc(C(F)(F)F)c(Cl)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C16H18ClF3N4O/c1-9-6-15(25,7-13(21-9)14-8-24(2)23-22-14)10-3-4-11(12(17)5-10)16(18,19)20/h3-5,8-9,13,21,25H,6-7H2,1-2H3/t9-,13-,15-/m0/s1
InChIKeyPRVJRIMFTFOSRH-FGEZKYSXSA-N
MW374.79 g/mol
LogP3.19
Rot. Bonds2

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

(2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol (PubChem CID 168826846) has the molecular formula C16H18ClF3N4O and a molecular weight of 374.79 g/mol. Its IUPAC name is (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
PubChem CID168826846
Molecular FormulaC16H18ClF3N4O
Molecular Weight374.79 g/mol
Exact Mass374.11
IUPAC Name(2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2ccc(C(F)(F)F)c(Cl)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C16H18ClF3N4O/c1-9-6-15(25,7-13(21-9)14-8-24(2)23-22-14)10-3-4-11(12(17)5-10)16(18,19)20/h3-5,8-9,13,21,25H,6-7H2,1-2H3/t9-,13-,15-/m0/s1
InChIKeyPRVJRIMFTFOSRH-FGEZKYSXSA-N
XLogP3.19
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The IUPAC name of (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol (CID 168826846) is (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol.
What is the SMILES notation for (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The canonical SMILES for (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol is C[C@H]1C[C@@](O)(c2ccc(C(F)(F)F)c(Cl)c2)C[C@@H](c2cn(C)nn2)N1.
What is the InChIKey of (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The InChIKey is PRVJRIMFTFOSRH-FGEZKYSXSA-N. The full InChI is InChI=1S/C16H18ClF3N4O/c1-9-6-15(25,7-13(21-9)14-8-24(2)23-22-14)10-3-4-11(12(17)5-10)16(18,19)20/h3-5,8-9,13,21,25H,6-7H2,1-2H3/t9-,13-,15-/m0/s1.
What are the key properties of (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
(2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol has a molecular weight of 374.79 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol is sourced from PubChem (CID 168826846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).