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

C15H24F3N3 — CID 155148310

IUPAC(2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCCC(C)(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccnn1C
InChIInChI=1S/C15H24F3N3/c1-5-14(2,3)21-9-7-11(15(16,17)18)10-13(21)12-6-8-19-20(12)4/h6,8,11,13H,5,7,9-10H2,1-4H3/t11-,13+/m0/s1
InChIKeyPKBMOOANNUEAIE-WCQYABFASA-N
MW303.37 g/mol
LogP3.92
Rot. Bonds3

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

(2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (PubChem CID 155148310) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
PubChem CID155148310
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name(2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCCC(C)(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccnn1C
InChIInChI=1S/C15H24F3N3/c1-5-14(2,3)21-9-7-11(15(16,17)18)10-13(21)12-6-8-19-20(12)4/h6,8,11,13H,5,7,9-10H2,1-4H3/t11-,13+/m0/s1
InChIKeyPKBMOOANNUEAIE-WCQYABFASA-N
XLogP3.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of (2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (CID 155148310) is (2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is CCC(C)(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccnn1C.
What is the InChIKey of (2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is PKBMOOANNUEAIE-WCQYABFASA-N. The full InChI is InChI=1S/C15H24F3N3/c1-5-14(2,3)21-9-7-11(15(16,17)18)10-13(21)12-6-8-19-20(12)4/h6,8,11,13H,5,7,9-10H2,1-4H3/t11-,13+/m0/s1.
What are the key properties of (2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
(2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 303.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(2-methylbutan-2-yl)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 155148310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).