methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate

C10H16F3NO2 — CID 122164232

IUPACmethyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-9(15)6-8-2-4-14(5-3-8)7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyDCLZRICNDCZHST-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds3

About methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate

methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate (PubChem CID 122164232) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
PubChem CID122164232
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namemethyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-9(15)6-8-2-4-14(5-3-8)7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyDCLZRICNDCZHST-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60782427
methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
[4-(2-methoxy-2-oxoethyl)piperidin-1-yl]methanesulfinate
CID 174934092
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]propanoic acid
CID 165389159
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate (CID 122164232) is methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate is COC(=O)CC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate?
The InChIKey is DCLZRICNDCZHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-16-9(15)6-8-2-4-14(5-3-8)7-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate?
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate has a molecular weight of 239.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate is sourced from PubChem (CID 122164232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).