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

C14H22F3N3 — CID 155148128

IUPAC(2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCn1nccc1[C@H]1C[C@@H](C(F)(F)F)CCN1C(C)(C)C
InChIInChI=1S/C14H22F3N3/c1-13(2,3)20-8-6-10(14(15,16)17)9-12(20)11-5-7-18-19(11)4/h5,7,10,12H,6,8-9H2,1-4H3/t10-,12+/m0/s1
InChIKeyCEXZIJGFWWTLHC-CMPLNLGQSA-N
MW289.34 g/mol
LogP3.53
Rot. Bonds1

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

(2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (PubChem CID 155148128) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
PubChem CID155148128
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name(2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
SMILESCn1nccc1[C@H]1C[C@@H](C(F)(F)F)CCN1C(C)(C)C
InChIInChI=1S/C14H22F3N3/c1-13(2,3)20-8-6-10(14(15,16)17)9-12(20)11-5-7-18-19(11)4/h5,7,10,12H,6,8-9H2,1-4H3/t10-,12+/m0/s1
InChIKeyCEXZIJGFWWTLHC-CMPLNLGQSA-N
XLogP3.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of (2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine (CID 155148128) is (2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is Cn1nccc1[C@H]1C[C@@H](C(F)(F)F)CCN1C(C)(C)C.
What is the InChIKey of (2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is CEXZIJGFWWTLHC-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-13(2,3)20-8-6-10(14(15,16)17)9-12(20)11-5-7-18-19(11)4/h5,7,10,12H,6,8-9H2,1-4H3/t10-,12+/m0/s1.
What are the key properties of (2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine?
(2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 289.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 155148128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).