methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate

C14H18FNO2 — CID 70876096

IUPACmethyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate
SMILESCOC(=O)C(c1ccc(F)cc1)C1CCCCN1
InChIInChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3
InChIKeyXISBAJBPDVRSPG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.22
Rot. Bonds3

About methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate

methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate (PubChem CID 70876096) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate
PubChem CID70876096
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate
SMILESCOC(=O)C(c1ccc(F)cc1)C1CCCCN1
InChIInChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3
InChIKeyXISBAJBPDVRSPG-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate?
The IUPAC name of methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate (CID 70876096) is methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate is COC(=O)C(c1ccc(F)cc1)C1CCCCN1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate?
The InChIKey is XISBAJBPDVRSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate?
methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate has a molecular weight of 251.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate is sourced from PubChem (CID 70876096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).