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

C15H21FN2O2 — CID 6464986

IUPACethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-20-15(19)12-18-9-7-17(8-10-18)11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeySQUPSMMLFUFETL-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.51
Rot. Bonds5

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

ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate (PubChem CID 6464986) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate
PubChem CID6464986
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nameethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-20-15(19)12-18-9-7-17(8-10-18)11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeySQUPSMMLFUFETL-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate (CID 6464986) is ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate is CCOC(=O)CN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate?
The InChIKey is SQUPSMMLFUFETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-20-15(19)12-18-9-7-17(8-10-18)11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate?
ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate has a molecular weight of 280.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 6464986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).