ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate

C10H16F3NO2 — CID 167721233

IUPACethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C[C@H](C(F)(F)F)CCN1
InChIInChI=1S/C10H16F3NO2/c1-2-16-9(15)6-8-5-7(3-4-14-8)10(11,12)13/h7-8,14H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyUWEQMNWVJNKUAL-SFYZADRCSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds3

About ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate

ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate (PubChem CID 167721233) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate
PubChem CID167721233
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Nameethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C[C@H](C(F)(F)F)CCN1
InChIInChI=1S/C10H16F3NO2/c1-2-16-9(15)6-8-5-7(3-4-14-8)10(11,12)13/h7-8,14H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyUWEQMNWVJNKUAL-SFYZADRCSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl piperidin-2-ylacetate
CID 436981
Methyl 3-(6-(trifluoromethyl)piperidin-3-yl)propanoate hydrochloride
CID 155820607
Ethyl 2,2-difluoro-3-(piperidin-4-yl)propanoate hydrochloride
CID 165750308
rac-methyl 2-methyl-2-[(2R,4S)-4-methylpiperidin-2-yl]propanoate
CID 165908130
(+/-)-2-((2S,4S)-4-(trifluoromethyl)piperidin-2-yl)acetic acid
CID 97308800
Ethyl 2-(propylamino)cyclohexane-1-carboxylate
CID 57577723
Methyl 4-(piperidin-4-yl)butanoate
CID 21462751
Ethyl 6-(trifluoromethyl)piperidine-3-carboxylate
CID 49761070
2,2-Difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate
CID 58341580
Methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate
CID 66731814
Diethyl 2-(5-fluoropiperidin-2-yl)propanedioate
CID 70802207
Ethyl (3R)-3-amino-3-(4,4-difluorocyclohexyl)propanoate
CID 121426455

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate (CID 167721233) is ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate is CCOC(=O)C[C@@H]1C[C@H](C(F)(F)F)CCN1.
What is the InChIKey of ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate?
The InChIKey is UWEQMNWVJNKUAL-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-16-9(15)6-8-5-7(3-4-14-8)10(11,12)13/h7-8,14H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate?
ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate has a molecular weight of 239.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]acetate is sourced from PubChem (CID 167721233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).