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

C13H17ClN2O2 — CID 23137063

IUPACmethyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate
SMILESCOC(=O)CC1CNCCN1c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-18-13(17)8-12-9-15-6-7-16(12)11-4-2-10(14)3-5-11/h2-5,12,15H,6-9H2,1H3
InChIKeyJLPMESQVKNLRPD-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.68
Rot. Bonds3

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

methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate (PubChem CID 23137063) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate
PubChem CID23137063
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Namemethyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate
SMILESCOC(=O)CC1CNCCN1c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-18-13(17)8-12-9-15-6-7-16(12)11-4-2-10(14)3-5-11/h2-5,12,15H,6-9H2,1H3
InChIKeyJLPMESQVKNLRPD-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate (CID 23137063) is methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate is COC(=O)CC1CNCCN1c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate?
The InChIKey is JLPMESQVKNLRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-13(17)8-12-9-15-6-7-16(12)11-4-2-10(14)3-5-11/h2-5,12,15H,6-9H2,1H3.
What are the key properties of methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate?
methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate has a molecular weight of 268.74 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate is sourced from PubChem (CID 23137063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).