ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate

C15H22N2O3 — CID 141462243

IUPACethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)13-3-5-14(6-4-13)17-9-7-16(8-10-17)11-12-18/h3-6,18H,2,7-12H2,1H3
InChIKeyIEFJONAREOITGN-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.98
Rot. Bonds5

About ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate

ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate (PubChem CID 141462243) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate
PubChem CID141462243
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)13-3-5-14(6-4-13)17-9-7-16(8-10-17)11-12-18/h3-6,18H,2,7-12H2,1H3
InChIKeyIEFJONAREOITGN-UHFFFAOYSA-N
XLogP0.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate?
The IUPAC name of ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate (CID 141462243) is ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate is CCOC(=O)c1ccc(N2CCN(CCO)CC2)cc1.
What is the InChIKey of ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate?
The InChIKey is IEFJONAREOITGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-15(19)13-3-5-14(6-4-13)17-9-7-16(8-10-17)11-12-18/h3-6,18H,2,7-12H2,1H3.
What are the key properties of ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate?
ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate has a molecular weight of 278.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 141462243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).