1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

C14H17F3N2O — CID 62048675

IUPAC1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESNC1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-5-3-10(4-6-11)8-13(20)19-7-1-2-12(18)9-19/h3-6,12H,1-2,7-9,18H2
InChIKeyNVZRIYXGONEXNJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.20
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 62048675) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID62048675
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESNC1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-5-3-10(4-6-11)8-13(20)19-7-1-2-12(18)9-19/h3-6,12H,1-2,7-9,18H2
InChIKeyNVZRIYXGONEXNJ-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone 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

1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 124699963
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
CID 119381637
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
1-[(3S)-3-aminopiperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124593921
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114801487
2-(4-chlorophenyl)-1-[(3S)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 58737477
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
CID 115277195
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-bromo-3-fluorophenyl)ethanone
CID 176515881

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 62048675) is 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is NC1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is NVZRIYXGONEXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-5-3-10(4-6-11)8-13(20)19-7-1-2-12(18)9-19/h3-6,12H,1-2,7-9,18H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 286.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 62048675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).