methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate

C15H18FNO4 — CID 170456736

IUPACmethyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2ccc(F)c(O)c2)CC1
InChIInChI=1S/C15H18FNO4/c1-21-15(20)11-4-6-17(7-5-11)14(19)9-10-2-3-12(16)13(18)8-10/h2-3,8,11,18H,4-7,9H2,1H3
InChIKeyUNYJYTQZFZCRGD-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.49
Rot. Bonds3

About methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate

methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate (PubChem CID 170456736) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate
PubChem CID170456736
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2ccc(F)c(O)c2)CC1
InChIInChI=1S/C15H18FNO4/c1-21-15(20)11-4-6-17(7-5-11)14(19)9-10-2-3-12(16)13(18)8-10/h2-3,8,11,18H,4-7,9H2,1H3
InChIKeyUNYJYTQZFZCRGD-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
CID 112531678
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
methyl 1-[2-(2-bromo-4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 170456776
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
CID 43409066
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
methyl 1-[N'-[2-(3-bromo-4-fluorophenyl)ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111253367
methyl 1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxylate
CID 100539386
methyl 1-[N-ethyl-N'-[(3-fluoro-4-methylphenyl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111252217

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate (CID 170456736) is methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Cc2ccc(F)c(O)c2)CC1.
What is the InChIKey of methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate?
The InChIKey is UNYJYTQZFZCRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-15(20)11-4-6-17(7-5-11)14(19)9-10-2-3-12(16)13(18)8-10/h2-3,8,11,18H,4-7,9H2,1H3.
What are the key properties of methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 170456736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).