methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate

C14H17F2NO2 — CID 116860455

IUPACmethyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate
SMILESCOC(=O)C(c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C14H17F2NO2/c1-19-14(18)13(17-7-3-2-4-8-17)11-6-5-10(15)9-12(11)16/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyZAIGPXPWLQPMMA-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate

methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate (PubChem CID 116860455) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate
PubChem CID116860455
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate
SMILESCOC(=O)C(c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C14H17F2NO2/c1-19-14(18)13(17-7-3-2-4-8-17)11-6-5-10(15)9-12(11)16/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyZAIGPXPWLQPMMA-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-(2,4-difluorophenyl)ethanethioamide
CID 84748603
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate
CID 86688947
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
CID 54775718
methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558
2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 84747093
2-(azepan-1-yl)-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54914947
methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
CID 102294238
methyl 2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetate
CID 86879116
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate?
The IUPAC name of methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate (CID 116860455) is methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate.
What is the SMILES notation for methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate?
The canonical SMILES for methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate is COC(=O)C(c1ccc(F)cc1F)N1CCCCC1.
What is the InChIKey of methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate?
The InChIKey is ZAIGPXPWLQPMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-19-14(18)13(17-7-3-2-4-8-17)11-6-5-10(15)9-12(11)16/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate?
methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate has a molecular weight of 269.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate is sourced from PubChem (CID 116860455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).