methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate

C14H19ClN2O2 — CID 54895358

IUPACmethyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate
SMILESCOC(=O)C(C)(c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H19ClN2O2/c1-14(13(18)19-2,17-9-7-16-8-10-17)11-5-3-4-6-12(11)15/h3-6,16H,7-10H2,1-2H3
InChIKeyGBCQYEPYGBTXOL-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.63
Rot. Bonds3

About methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate

methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate (PubChem CID 54895358) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate
PubChem CID54895358
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Namemethyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate
SMILESCOC(=O)C(C)(c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H19ClN2O2/c1-14(13(18)19-2,17-9-7-16-8-10-17)11-5-3-4-6-12(11)15/h3-6,16H,7-10H2,1-2H3
InChIKeyGBCQYEPYGBTXOL-UHFFFAOYSA-N
XLogP1.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate (CID 54895358) is methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate is COC(=O)C(C)(c1ccccc1Cl)N1CCNCC1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate?
The InChIKey is GBCQYEPYGBTXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(13(18)19-2,17-9-7-16-8-10-17)11-5-3-4-6-12(11)15/h3-6,16H,7-10H2,1-2H3.
What are the key properties of methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate?
methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate has a molecular weight of 282.77 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate is sourced from PubChem (CID 54895358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).