ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate

C15H21FN2O2 — CID 61002272

IUPACethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate
SMILESCCOC(=O)C(C)(c1ccccc1F)N1CCNCC1
InChIInChI=1S/C15H21FN2O2/c1-3-20-14(19)15(2,18-10-8-17-9-11-18)12-6-4-5-7-13(12)16/h4-7,17H,3,8-11H2,1-2H3
InChIKeyIJGDEGNUDVZYMG-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.51
Rot. Bonds4

About ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate

ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate (PubChem CID 61002272) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate
PubChem CID61002272
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nameethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate
SMILESCCOC(=O)C(C)(c1ccccc1F)N1CCNCC1
InChIInChI=1S/C15H21FN2O2/c1-3-20-14(19)15(2,18-10-8-17-9-11-18)12-6-4-5-7-13(12)16/h4-7,17H,3,8-11H2,1-2H3
InChIKeyIJGDEGNUDVZYMG-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002608
ethyl 2-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 62915911
2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide
CID 54891219
ethyl 2-(1,4-diazepan-1-yl)-2-phenylpropanoate
CID 60992972
ethyl 2-(4-bromophenyl)-2-piperazin-1-ylpropanoate
CID 61002025
ethyl 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoate
CID 114832094
methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate
CID 54895358
1-(2-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924095
ethyl 2-methyl-2-piperazin-1-ylbutanoate
CID 61001895
ethyl 2-(aminomethyl)-2-(2-fluorophenyl)-5,5-dimethylhexanoate
CID 106490514
3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 114831921
diethyl 2-benzyl-2-(2-fluorophenyl)propanedioate
CID 114982602

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate?
The IUPAC name of ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate (CID 61002272) is ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate.
What is the SMILES notation for ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate?
The canonical SMILES for ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate is CCOC(=O)C(C)(c1ccccc1F)N1CCNCC1.
What is the InChIKey of ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate?
The InChIKey is IJGDEGNUDVZYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-20-14(19)15(2,18-10-8-17-9-11-18)12-6-4-5-7-13(12)16/h4-7,17H,3,8-11H2,1-2H3.
What are the key properties of ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate?
ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate has a molecular weight of 280.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate is sourced from PubChem (CID 61002272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).