methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate

C14H19FN2O2 — CID 6468810

IUPACmethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2/c1-19-14(18)11-17-8-6-16(7-9-17)10-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3
InChIKeyBEBAPICLCBAOIM-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.12
Rot. Bonds4

About methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate

methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate (PubChem CID 6468810) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate
PubChem CID6468810
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Namemethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2/c1-19-14(18)11-17-8-6-16(7-9-17)10-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3
InChIKeyBEBAPICLCBAOIM-UHFFFAOYSA-N
XLogP1.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate (CID 6468810) is methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate?
The InChIKey is BEBAPICLCBAOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-14(18)11-17-8-6-16(7-9-17)10-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3.
What are the key properties of methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate?
methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate has a molecular weight of 266.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 6468810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).