piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate

C13H17FN2O3 — CID 10400825

IUPACpiperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1)OCC1CNCCN1
InChIInChI=1S/C13H17FN2O3/c14-10-1-3-12(4-2-10)18-9-13(17)19-8-11-7-15-5-6-16-11/h1-4,11,15-16H,5-9H2
InChIKeyNZJRZJCBODUNME-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.31
Rot. Bonds5

About piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate

piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate (PubChem CID 10400825) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Namepiperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate
PubChem CID10400825
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Namepiperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1)OCC1CNCCN1
InChIInChI=1S/C13H17FN2O3/c14-10-1-3-12(4-2-10)18-9-13(17)19-8-11-7-15-5-6-16-11/h1-4,11,15-16H,5-9H2
InChIKeyNZJRZJCBODUNME-UHFFFAOYSA-N
XLogP0.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(phenoxymethyl)piperazine
CID 155904639
1,4,7,10,13,16-hexazacyclooctadec-2-ylmethyl acetate
CID 101060497
methyl 2-(4-fluorophenoxy)acetate
CID 580550
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321388
(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate
CID 41383660
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
piperazin-2-ylmethyl N,N-diethylcarbamate
CID 57170882
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
[4-[2-(4-chlorophenoxy)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl 2-(4-chlorophenoxy)acetate
CID 22264221

Frequently Asked Questions

What is the IUPAC name of piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate?
The IUPAC name of piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate (CID 10400825) is piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate?
The canonical SMILES for piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate is O=C(COc1ccc(F)cc1)OCC1CNCCN1.
What is the InChIKey of piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate?
The InChIKey is NZJRZJCBODUNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-10-1-3-12(4-2-10)18-9-13(17)19-8-11-7-15-5-6-16-11/h1-4,11,15-16H,5-9H2.
What are the key properties of piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate?
piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate has a molecular weight of 268.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-ylmethyl 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 10400825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).