4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one

C8H13F3N2O — CID 83820754

IUPAC4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one
SMILESNC1CCN(CCC(F)(F)F)C(=O)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)2-4-13-3-1-6(12)5-7(13)14/h6H,1-5,12H2
InChIKeyZMFIPALRTSGDIA-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.89
Rot. Bonds2

About 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one

4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one (PubChem CID 83820754) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one
PubChem CID83820754
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one
SMILESNC1CCN(CCC(F)(F)F)C(=O)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)2-4-13-3-1-6(12)5-7(13)14/h6H,1-5,12H2
InChIKeyZMFIPALRTSGDIA-UHFFFAOYSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one 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

4-amino-1-(3-methylbutyl)piperidin-2-one
CID 83636424
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
1-(3,3-dimethylbutyl)-2-oxopiperidine-4-carboxylic acid
CID 116837759
3-bromo-1-(4,4,4-trifluorobutyl)pyrrolidin-2-one
CID 115522365
(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
CID 130236749
2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 168700091
3-tert-butyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane-2,5-dione
CID 64883620
5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-one
CID 64978072
4-amino-1-cyclopentylpiperidin-2-one
CID 83636323
ethane;4-ethyl-1-(2-methoxyethyl)piperidin-2-one
CID 142537667
5-oxo-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 115515986
6-amino-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 131638228

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one?
The IUPAC name of 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one (CID 83820754) is 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one.
What is the SMILES notation for 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one?
The canonical SMILES for 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one is NC1CCN(CCC(F)(F)F)C(=O)C1.
What is the InChIKey of 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one?
The InChIKey is ZMFIPALRTSGDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)2-4-13-3-1-6(12)5-7(13)14/h6H,1-5,12H2.
What are the key properties of 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one?
4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one has a molecular weight of 210.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one is sourced from PubChem (CID 83820754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).