[3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone

C21H24F3N3O — CID 119595883

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone
SMILESCC(N)C1CCCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H24F3N3O/c1-14(25)15-6-5-11-27(13-15)20(28)18-9-2-3-10-19(18)26-17-8-4-7-16(12-17)21(22,23)24/h2-4,7-10,12,14-15,26H,5-6,11,13,25H2,1H3
InChIKeyPXMZCMTYWOXUFA-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.65
Rot. Bonds4

About [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone

[3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone (PubChem CID 119595883) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone
PubChem CID119595883
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone
SMILESCC(N)C1CCCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H24F3N3O/c1-14(25)15-6-5-11-27(13-15)20(28)18-9-2-3-10-19(18)26-17-8-4-7-16(12-17)21(22,23)24/h2-4,7-10,12,14-15,26H,5-6,11,13,25H2,1H3
InChIKeyPXMZCMTYWOXUFA-UHFFFAOYSA-N
XLogP4.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone with MolForge

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Related Compounds

azepan-1-yl-[1-[2-[3-(trifluoromethyl)anilino]benzoyl]piperidin-4-yl]methanone
CID 55407549
(4-methyl-1,4-diazepan-1-yl)-[2-[3-(trifluoromethyl)anilino]phenyl]methanone
CID 112791453
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 100639344
[3-(1-aminoethyl)piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 119594333
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 99848583
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylethanone;hydrochloride
CID 119593171
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone;hydrochloride
CID 119545996
N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119595079
[3-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119593899
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 125119581
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 124690087
1-[3-(1-aminoethyl)piperidin-1-yl]-2,2-difluoro-2-phenylethanone
CID 119594480

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone (CID 119595883) is [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone is CC(N)C1CCCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone?
The InChIKey is PXMZCMTYWOXUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-14(25)15-6-5-11-27(13-15)20(28)18-9-2-3-10-19(18)26-17-8-4-7-16(12-17)21(22,23)24/h2-4,7-10,12,14-15,26H,5-6,11,13,25H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone?
[3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone has a molecular weight of 391.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone is sourced from PubChem (CID 119595883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).