(2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine

C13H24F3N — CID 134170751

IUPAC(2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine
SMILESCCC(C)(C)C[C@@H]1CC[C@@H](C(F)(F)F)N(C)C1
InChIInChI=1S/C13H24F3N/c1-5-12(2,3)8-10-6-7-11(13(14,15)16)17(4)9-10/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyULVPKRBTXJAKJI-QWRGUYRKSA-N
MW251.34 g/mol
LogP4.09
Rot. Bonds3

About (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine

(2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine (PubChem CID 134170751) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine
PubChem CID134170751
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name(2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine
SMILESCCC(C)(C)C[C@@H]1CC[C@@H](C(F)(F)F)N(C)C1
InChIInChI=1S/C13H24F3N/c1-5-12(2,3)8-10-6-7-11(13(14,15)16)17(4)9-10/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyULVPKRBTXJAKJI-QWRGUYRKSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine?
The IUPAC name of (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine (CID 134170751) is (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine is CCC(C)(C)C[C@@H]1CC[C@@H](C(F)(F)F)N(C)C1.
What is the InChIKey of (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine?
The InChIKey is ULVPKRBTXJAKJI-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24F3N/c1-5-12(2,3)8-10-6-7-11(13(14,15)16)17(4)9-10/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine?
(2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine has a molecular weight of 251.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 134170751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).