methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate

C13H17ClN2O2 — CID 28819369

IUPACmethyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
SMILESCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C13H17ClN2O2/c1-18-13(17)12(16-8-6-15-7-9-16)10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3/t12-/m1/s1
InChIKeyIEHFYAQJHKFHTJ-GFCCVEGCSA-N
MW268.74 g/mol
LogP1.46
Rot. Bonds3

About methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate

methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate (PubChem CID 28819369) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
PubChem CID28819369
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Namemethyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
SMILESCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C13H17ClN2O2/c1-18-13(17)12(16-8-6-15-7-9-16)10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3/t12-/m1/s1
InChIKeyIEHFYAQJHKFHTJ-GFCCVEGCSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 54890533
methyl 2-(3-chloro-5-fluorophenyl)-2-piperazin-1-ylacetate
CID 114453677
N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 171716413
methyl 2-(3-bromo-4-fluorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 60994255
methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894645
methyl 2-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)acetate
CID 60993819
methyl 2-(2-bromo-5-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 66158233
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
CID 61347523
methyl 2-(4-chlorophenyl)-2-[4-[3-(4-cyanophenyl)propanoyl]piperazin-1-yl]acetate
CID 46431367
methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate
CID 146045375
methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
CID 43063623

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate?
The IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate (CID 28819369) is methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate.
What is the SMILES notation for methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate?
The canonical SMILES for methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate is COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate?
The InChIKey is IEHFYAQJHKFHTJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-13(17)12(16-8-6-15-7-9-16)10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate?
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate has a molecular weight of 268.74 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate is sourced from PubChem (CID 28819369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).