tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride

C11H20ClF3N2O2 — CID 172915671

IUPACtert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H]1C(F)(F)F.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-10(2,3)18-9(17)16-6-4-5-7(15)8(16)11(12,13)14;/h7-8H,4-6,15H2,1-3H3;1H/t7-,8+;/m0./s1
InChIKeySSFQRIXHHYVMEI-KZYPOYLOSA-N
MW304.74 g/mol
LogP2.70
Rot. Bonds

About tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride

tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 172915671) has the molecular formula C11H20ClF3N2O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
PubChem CID172915671
Molecular FormulaC11H20ClF3N2O2
Molecular Weight304.74 g/mol
Exact Mass304.12
IUPAC Nametert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H]1C(F)(F)F.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-10(2,3)18-9(17)16-6-4-5-7(15)8(16)11(12,13)14;/h7-8H,4-6,15H2,1-3H3;1H/t7-,8+;/m0./s1
InChIKeySSFQRIXHHYVMEI-KZYPOYLOSA-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride (CID 172915671) is tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H]1C(F)(F)F.Cl.
What is the InChIKey of tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is SSFQRIXHHYVMEI-KZYPOYLOSA-N. The full InChI is InChI=1S/C11H19F3N2O2.ClH/c1-10(2,3)18-9(17)16-6-4-5-7(15)8(16)11(12,13)14;/h7-8H,4-6,15H2,1-3H3;1H/t7-,8+;/m0./s1.
What are the key properties of tert-butyl (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride?
tert-butyl (2R,3S)-3-amino-2-(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 (2R,3S)-3-amino-2-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 172915671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).