methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate

C14H18FNO3 — CID 15462961

IUPACmethyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate
SMILESCOC(=O)C(c1ccccc1F)N1CCC(O)CC1
InChIInChI=1S/C14H18FNO3/c1-19-14(18)13(11-4-2-3-5-12(11)15)16-8-6-10(17)7-9-16/h2-5,10,13,17H,6-9H2,1H3
InChIKeyRPVDJNLNZOOCRY-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.50
Rot. Bonds3

About methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate

methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate (PubChem CID 15462961) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate
PubChem CID15462961
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate
SMILESCOC(=O)C(c1ccccc1F)N1CCC(O)CC1
InChIInChI=1S/C14H18FNO3/c1-19-14(18)13(11-4-2-3-5-12(11)15)16-8-6-10(17)7-9-16/h2-5,10,13,17H,6-9H2,1H3
InChIKeyRPVDJNLNZOOCRY-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate (CID 15462961) is methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate is COC(=O)C(c1ccccc1F)N1CCC(O)CC1.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate?
The InChIKey is RPVDJNLNZOOCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-14(18)13(11-4-2-3-5-12(11)15)16-8-6-10(17)7-9-16/h2-5,10,13,17H,6-9H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate?
methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate has a molecular weight of 267.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetate is sourced from PubChem (CID 15462961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).