methyl 2-methyl-2-piperazin-1-ylpropanoate

C9H18N2O2 — CID 61001258

IUPACmethyl 2-methyl-2-piperazin-1-ylpropanoate
SMILESCOC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-9(2,8(12)13-3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKeyWEDJDAUUIPGYIO-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds2

About methyl 2-methyl-2-piperazin-1-ylpropanoate

methyl 2-methyl-2-piperazin-1-ylpropanoate (PubChem CID 61001258) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-methyl-2-piperazin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-piperazin-1-ylpropanoate
PubChem CID61001258
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 2-methyl-2-piperazin-1-ylpropanoate
SMILESCOC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-9(2,8(12)13-3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKeyWEDJDAUUIPGYIO-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-piperazin-1-ylpropanoate?
The IUPAC name of methyl 2-methyl-2-piperazin-1-ylpropanoate (CID 61001258) is methyl 2-methyl-2-piperazin-1-ylpropanoate.
What is the SMILES notation for methyl 2-methyl-2-piperazin-1-ylpropanoate?
The canonical SMILES for methyl 2-methyl-2-piperazin-1-ylpropanoate is COC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of methyl 2-methyl-2-piperazin-1-ylpropanoate?
The InChIKey is WEDJDAUUIPGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,8(12)13-3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3.
What are the key properties of methyl 2-methyl-2-piperazin-1-ylpropanoate?
methyl 2-methyl-2-piperazin-1-ylpropanoate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-piperazin-1-ylpropanoate is sourced from PubChem (CID 61001258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).