methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate

C16H22FNO3 — CID 95276178

IUPACmethyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate
SMILESCCOC1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO3/c1-3-21-14-8-10-18(11-9-14)15(16(19)20-2)12-4-6-13(17)7-5-12/h4-7,14-15H,3,8-11H2,1-2H3/t15-/m0/s1
InChIKeyJHQQMZOMWTYXJF-HNNXBMFYSA-N
MW295.35 g/mol
LogP2.54
Rot. Bonds5

About methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate

methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate (PubChem CID 95276178) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate
PubChem CID95276178
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Namemethyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate
SMILESCCOC1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO3/c1-3-21-14-8-10-18(11-9-14)15(16(19)20-2)12-4-6-13(17)7-5-12/h4-7,14-15H,3,8-11H2,1-2H3/t15-/m0/s1
InChIKeyJHQQMZOMWTYXJF-HNNXBMFYSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate
CID 95280387
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
CID 111750143
methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate
CID 95160744
methyl (2R)-2-(4-fluorophenyl)-2-[(3R)-3-(propanoylamino)piperidin-1-yl]acetate
CID 100838826
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
CID 95280296
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
methyl 2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetate
CID 86879116
methyl (2S)-2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 31540480
(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
CID 124565294
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate (CID 95276178) is methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate is CCOC1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1.
What is the InChIKey of methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate?
The InChIKey is JHQQMZOMWTYXJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-3-21-14-8-10-18(11-9-14)15(16(19)20-2)12-4-6-13(17)7-5-12/h4-7,14-15H,3,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate?
methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate has a molecular weight of 295.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 95276178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).