ethyl 3-methyl-2-piperazin-1-ylpentanoate

C12H24N2O2 — CID 61319359

IUPACethyl 3-methyl-2-piperazin-1-ylpentanoate
SMILESCCOC(=O)C(C(C)CC)N1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-4-10(3)11(12(15)16-5-2)14-8-6-13-7-9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyBEYRGKDTZSPOLC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds5

About ethyl 3-methyl-2-piperazin-1-ylpentanoate

ethyl 3-methyl-2-piperazin-1-ylpentanoate (PubChem CID 61319359) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 3-methyl-2-piperazin-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-piperazin-1-ylpentanoate
PubChem CID61319359
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 3-methyl-2-piperazin-1-ylpentanoate
SMILESCCOC(=O)C(C(C)CC)N1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-4-10(3)11(12(15)16-5-2)14-8-6-13-7-9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyBEYRGKDTZSPOLC-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319156
methyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319155
ethyl (2S)-3-methyl-2-pyrrol-1-ylpentanoate
CID 17389832
ethyl 3-methyl-2-(4-methylpiperazin-1-yl)butanoate
CID 20833930
ethyl (2S,3R)-3-methyl-2-pyrrol-1-ylpentanoate
CID 42579739
3-hydroxy-2-piperazin-1-ylbutanamide
CID 66898165
3-methoxy-2-piperazin-1-ylbutanamide
CID 69091413
ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate
CID 104822559
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
3-piperazin-1-ylpentan-2-one
CID 68969032
ethyl 3-piperazin-1-ylcyclobutane-1-carboxylate
CID 166000292
2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride
CID 174325240

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-piperazin-1-ylpentanoate?
The IUPAC name of ethyl 3-methyl-2-piperazin-1-ylpentanoate (CID 61319359) is ethyl 3-methyl-2-piperazin-1-ylpentanoate.
What is the SMILES notation for ethyl 3-methyl-2-piperazin-1-ylpentanoate?
The canonical SMILES for ethyl 3-methyl-2-piperazin-1-ylpentanoate is CCOC(=O)C(C(C)CC)N1CCNCC1.
What is the InChIKey of ethyl 3-methyl-2-piperazin-1-ylpentanoate?
The InChIKey is BEYRGKDTZSPOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10(3)11(12(15)16-5-2)14-8-6-13-7-9-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl 3-methyl-2-piperazin-1-ylpentanoate?
ethyl 3-methyl-2-piperazin-1-ylpentanoate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-piperazin-1-ylpentanoate is sourced from PubChem (CID 61319359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).