tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate

C13H23F3N2O2 — CID 134818881

IUPACtert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate
SMILESCN(C)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2,3)20-10(19)18-8-6-12(7-9-18,17(4)5)13(14,15)16/h6-9H2,1-5H3
InChIKeyKVZIACMYHUTOLQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.88
Rot. Bonds1

About tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 134818881) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID134818881
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate
SMILESCN(C)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2,3)20-10(19)18-8-6-12(7-9-18,17(4)5)13(14,15)16/h6-9H2,1-5H3
InChIKeyKVZIACMYHUTOLQ-UHFFFAOYSA-N
XLogP2.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
CID 91828194
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 155894204
tert-butyl 4-carbonochloridoyl-4-fluoropiperidine-1-carboxylate
CID 59658463
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 3,3-difluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 129320031
tert-butyl 3-fluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 129320024
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
CID 67487447

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate (CID 134818881) is tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate is CN(C)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is KVZIACMYHUTOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-11(2,3)20-10(19)18-8-6-12(7-9-18,17(4)5)13(14,15)16/h6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate?
tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 134818881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).