butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate

C13H26N2O2 — CID 63609586

IUPACbutyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCN(CC)C(C)C1
InChIInChI=1S/C13H26N2O2/c1-4-6-9-17-13(16)11-14-7-8-15(5-2)12(3)10-14/h12H,4-11H2,1-3H3
InChIKeyJETLMJZDIRBRFM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds6

About butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate

butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate (PubChem CID 63609586) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
PubChem CID63609586
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namebutyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCN(CC)C(C)C1
InChIInChI=1S/C13H26N2O2/c1-4-6-9-17-13(16)11-14-7-8-15(5-2)12(3)10-14/h12H,4-11H2,1-3H3
InChIKeyJETLMJZDIRBRFM-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(4-ethyl-3-methylpiperazin-1-yl)-3-oxobutanoate
CID 63897380
butyl 2-(3-methylpiperidin-1-yl)acetate
CID 60683573
butyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetate
CID 103936769
butyl 2-(4-cyclopentylpiperazin-1-yl)acetate
CID 55024857
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263
butyl 3-(2-methylaziridin-1-yl)propanoate
CID 59135534
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate
CID 103576801
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate
CID 159242052
butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114508947
butyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 66392719

Frequently Asked Questions

What is the IUPAC name of butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate?
The IUPAC name of butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate (CID 63609586) is butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate.
What is the SMILES notation for butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate?
The canonical SMILES for butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate is CCCCOC(=O)CN1CCN(CC)C(C)C1.
What is the InChIKey of butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate?
The InChIKey is JETLMJZDIRBRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-6-9-17-13(16)11-14-7-8-15(5-2)12(3)10-14/h12H,4-11H2,1-3H3.
What are the key properties of butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate?
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate has a molecular weight of 242.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate is sourced from PubChem (CID 63609586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).