(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone

C13H14F4N2O — CID 119377027

IUPAC(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
SMILESNC1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H14F4N2O/c14-10-6-8(5-9(7-10)13(15,16)17)12(20)19-3-1-11(18)2-4-19/h5-7,11H,1-4,18H2
InChIKeyCIGGTQYIACSJFR-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.41
Rot. Bonds1

About (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone

(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone (PubChem CID 119377027) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
PubChem CID119377027
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
SMILESNC1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H14F4N2O/c14-10-6-8(5-9(7-10)13(15,16)17)12(20)19-3-1-11(18)2-4-19/h5-7,11H,1-4,18H2
InChIKeyCIGGTQYIACSJFR-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone 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

[(3S)-3-aminopyrrolidin-1-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119934620
1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 119159271
2-[1-[3-fluoro-5-(trifluoromethyl)benzoyl]azepan-4-yl]acetic acid
CID 120949981
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898
2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 68777546
icosyl 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91744892
octyl 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91731428
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 120655536
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 62067197
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone (CID 119377027) is (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone is NC1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is CIGGTQYIACSJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-10-6-8(5-9(7-10)13(15,16)17)12(20)19-3-1-11(18)2-4-19/h5-7,11H,1-4,18H2.
What are the key properties of (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone?
(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 290.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 119377027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).