methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate

C15H20FNO3 — CID 111750143

IUPACmethyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
SMILESCOC(=O)C(c1ccc(F)cc1)N1CCCC(CO)C1
InChIInChI=1S/C15H20FNO3/c1-20-15(19)14(12-4-6-13(16)7-5-12)17-8-2-3-11(9-17)10-18/h4-7,11,14,18H,2-3,8-10H2,1H3
InChIKeyQGOBVSLVYREBPW-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.74
Rot. Bonds4

About methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate

methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate (PubChem CID 111750143) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
PubChem CID111750143
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
SMILESCOC(=O)C(c1ccc(F)cc1)N1CCCC(CO)C1
InChIInChI=1S/C15H20FNO3/c1-20-15(19)14(12-4-6-13(16)7-5-12)17-8-2-3-11(9-17)10-18/h4-7,11,14,18H,2-3,8-10H2,1H3
InChIKeyQGOBVSLVYREBPW-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(4-fluorophenyl)-2-[(3R)-3-(propanoylamino)piperidin-1-yl]acetate
CID 100838826
methyl 2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetate
CID 86879116
methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate
CID 95276178
methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate
CID 95160744
methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate
CID 95280387
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 97312757
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
methyl (2S)-2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 31540480

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate (CID 111750143) is methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate is COC(=O)C(c1ccc(F)cc1)N1CCCC(CO)C1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate?
The InChIKey is QGOBVSLVYREBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-20-15(19)14(12-4-6-13(16)7-5-12)17-8-2-3-11(9-17)10-18/h4-7,11,14,18H,2-3,8-10H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate?
methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate has a molecular weight of 281.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 111750143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).