tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride

C11H20ClF3N2O2 — CID 91828194

IUPACtert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(N)(C(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-9(2,3)18-8(17)16-6-4-10(15,5-7-16)11(12,13)14;/h4-7,15H2,1-3H3;1H
InChIKeyZFIAHPZJJRVMJZ-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.70
Rot. Bonds

About tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride

tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 91828194) has the molecular formula C11H20ClF3N2O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
PubChem CID91828194
Molecular FormulaC11H20ClF3N2O2
Molecular Weight304.74 g/mol
Exact Mass304.12
IUPAC Nametert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(N)(C(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-9(2,3)18-8(17)16-6-4-10(15,5-7-16)11(12,13)14;/h4-7,15H2,1-3H3;1H
InChIKeyZFIAHPZJJRVMJZ-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 155894204
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate
CID 134818881
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
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 3,3-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
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-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride (CID 91828194) is tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC(N)(C(F)(F)F)CC1.Cl.
What is the InChIKey of tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is ZFIAHPZJJRVMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2.ClH/c1-9(2,3)18-8(17)16-6-4-10(15,5-7-16)11(12,13)14;/h4-7,15H2,1-3H3;1H.
What are the key properties of tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride?
tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 304.74 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 91828194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).