3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride

C7H12ClF3N2O — CID 130237017

IUPAC3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride
SMILESCl.NC1CCCN(CC(F)(F)F)C1=O
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)4-12-3-1-2-5(11)6(12)13;/h5H,1-4,11H2;1H
InChIKeyRZXYIFJRPQXOPT-UHFFFAOYSA-N
MW232.63 g/mol
LogP0.92
Rot. Bonds1

About 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride

3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride (PubChem CID 130237017) has the molecular formula C7H12ClF3N2O and a molecular weight of 232.63 g/mol. Its IUPAC name is 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride
PubChem CID130237017
Molecular FormulaC7H12ClF3N2O
Molecular Weight232.63 g/mol
Exact Mass232.06
IUPAC Name3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride
SMILESCl.NC1CCCN(CC(F)(F)F)C1=O
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)4-12-3-1-2-5(11)6(12)13;/h5H,1-4,11H2;1H
InChIKeyRZXYIFJRPQXOPT-UHFFFAOYSA-N
XLogP0.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride?
The IUPAC name of 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride (CID 130237017) is 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride is Cl.NC1CCCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride?
The InChIKey is RZXYIFJRPQXOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)4-12-3-1-2-5(11)6(12)13;/h5H,1-4,11H2;1H.
What are the key properties of 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride?
3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride has a molecular weight of 232.63 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride is sourced from PubChem (CID 130237017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).