(2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine

C11H16F3N3 — CID 145285197

IUPAC(2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCN1CC[C@@H](C(F)(F)F)C[C@H]1c1ccnn1C
InChIInChI=1S/C11H16F3N3/c1-16-6-4-8(11(12,13)14)7-10(16)9-3-5-15-17(9)2/h3,5,8,10H,4,6-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyBAVOOLIMYHPJDJ-SCZZXKLOSA-N
MW247.26 g/mol
LogP2.37
Rot. Bonds1

About (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine

(2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (PubChem CID 145285197) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
PubChem CID145285197
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name(2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCN1CC[C@@H](C(F)(F)F)C[C@H]1c1ccnn1C
InChIInChI=1S/C11H16F3N3/c1-16-6-4-8(11(12,13)14)7-10(16)9-3-5-15-17(9)2/h3,5,8,10H,4,6-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyBAVOOLIMYHPJDJ-SCZZXKLOSA-N
XLogP2.37
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (CID 145285197) is (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is CN1CC[C@@H](C(F)(F)F)C[C@H]1c1ccnn1C.
What is the InChIKey of (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is BAVOOLIMYHPJDJ-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-16-6-4-8(11(12,13)14)7-10(16)9-3-5-15-17(9)2/h3,5,8,10H,4,6-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
(2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 247.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-methyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 145285197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).