methyl 3-methyl-2-piperazin-1-ylbutanoate

C10H20N2O2 — CID 61318493

IUPACmethyl 3-methyl-2-piperazin-1-ylbutanoate
SMILESCOC(=O)C(C(C)C)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-8(2)9(10(13)14-3)12-6-4-11-5-7-12/h8-9,11H,4-7H2,1-3H3
InChIKeyPDSGBZDUFRCGGG-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds3

About methyl 3-methyl-2-piperazin-1-ylbutanoate

methyl 3-methyl-2-piperazin-1-ylbutanoate (PubChem CID 61318493) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-methyl-2-piperazin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-piperazin-1-ylbutanoate
PubChem CID61318493
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 3-methyl-2-piperazin-1-ylbutanoate
SMILESCOC(=O)C(C(C)C)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-8(2)9(10(13)14-3)12-6-4-11-5-7-12/h8-9,11H,4-7H2,1-3H3
InChIKeyPDSGBZDUFRCGGG-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-piperazin-1-ylbutanoate?
The IUPAC name of methyl 3-methyl-2-piperazin-1-ylbutanoate (CID 61318493) is methyl 3-methyl-2-piperazin-1-ylbutanoate.
What is the SMILES notation for methyl 3-methyl-2-piperazin-1-ylbutanoate?
The canonical SMILES for methyl 3-methyl-2-piperazin-1-ylbutanoate is COC(=O)C(C(C)C)N1CCNCC1.
What is the InChIKey of methyl 3-methyl-2-piperazin-1-ylbutanoate?
The InChIKey is PDSGBZDUFRCGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)9(10(13)14-3)12-6-4-11-5-7-12/h8-9,11H,4-7H2,1-3H3.
What are the key properties of methyl 3-methyl-2-piperazin-1-ylbutanoate?
methyl 3-methyl-2-piperazin-1-ylbutanoate has a molecular weight of 200.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-piperazin-1-ylbutanoate is sourced from PubChem (CID 61318493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).