2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone

C16H21F3N2O — CID 23285083

IUPAC2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone
SMILESCN(CCc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O/c1-20(10-7-13-5-3-2-4-6-13)14-8-11-21(12-9-14)15(22)16(17,18)19/h2-6,14H,7-12H2,1H3
InChIKeyYWIMWVQAPUMGLF-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.71
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone (PubChem CID 23285083) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone
PubChem CID23285083
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone
SMILESCN(CCc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O/c1-20(10-7-13-5-3-2-4-6-13)14-8-11-21(12-9-14)15(22)16(17,18)19/h2-6,14H,7-12H2,1H3
InChIKeyYWIMWVQAPUMGLF-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]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

AI3-37157
CID 760213
AI3-37156
CID 897567
Piperidine, N-acetyl-4-benzyl-
CID 299608
N-Acetylmethamphetamine
CID 526655
Methyl-AP-237
CID 6447699
1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one
CID 5216003
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
N-(6-Guanidino-hexyl)-N-(1-phenethyl-piperidin-4-yl)-propionamide
CID 10363696
(2S)-4-(2,5-difluorophenyl)-N-(1-acetylpiperidin-4-yl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901491

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone (CID 23285083) is 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone is CN(CCc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone?
The InChIKey is YWIMWVQAPUMGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-20(10-7-13-5-3-2-4-6-13)14-8-11-21(12-9-14)15(22)16(17,18)19/h2-6,14H,7-12H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone has a molecular weight of 314.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 23285083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).