2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride

C14H18ClF3N2O — CID 167460247

IUPAC2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride
SMILESCN(C(=O)C(F)(F)F)[C@@H]1CCN[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C14H17F3N2O.ClH/c1-19(13(20)14(15,16)17)11-7-8-18-12(9-11)10-5-3-2-4-6-10;/h2-6,11-12,18H,7-9H2,1H3;1H/t11-,12+;/m1./s1
InChIKeyMDGAHXCVSFQYIR-LYCTWNKOSA-N
MW322.76 g/mol
LogP2.92
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride

2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride (PubChem CID 167460247) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride
PubChem CID167460247
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride
SMILESCN(C(=O)C(F)(F)F)[C@@H]1CCN[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C14H17F3N2O.ClH/c1-19(13(20)14(15,16)17)11-7-8-18-12(9-11)10-5-3-2-4-6-10;/h2-6,11-12,18H,7-9H2,1H3;1H/t11-,12+;/m1./s1
InChIKeyMDGAHXCVSFQYIR-LYCTWNKOSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride 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

2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 165142036
N-[(2S,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoro-N-methylacetamide
CID 165141798
4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid
CID 175786628
2-phenyl-4-(trifluoromethyl)piperidine
CID 66330695
tert-butyl N-[2-(3,4-difluorophenyl)piperidin-4-yl]-N-methylcarbamate
CID 176681811
methyl (2S,4R)-2-phenylpiperidine-4-carboxylate
CID 51441743
2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol
CID 170718755
(2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 175296413
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
CID 117000301
2-(4-ethylphenyl)-N,N-dimethylpiperidin-4-amine
CID 117000299
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride (CID 167460247) is 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride is CN(C(=O)C(F)(F)F)[C@@H]1CCN[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride?
The InChIKey is MDGAHXCVSFQYIR-LYCTWNKOSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c1-19(13(20)14(15,16)17)11-7-8-18-12(9-11)10-5-3-2-4-6-10;/h2-6,11-12,18H,7-9H2,1H3;1H/t11-,12+;/m1./s1.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride?
2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 167460247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).