ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate

C14H28N2O3 — CID 54895223

IUPACethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate
SMILESCCOC(=O)C(C)(CC(C)(C)OC)N1CCNCC1
InChIInChI=1S/C14H28N2O3/c1-6-19-12(17)14(4,11-13(2,3)18-5)16-9-7-15-8-10-16/h15H,6-11H2,1-5H3
InChIKeyRIAWTXMPXBNMJV-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds6

About ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate

ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate (PubChem CID 54895223) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate
PubChem CID54895223
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate
SMILESCCOC(=O)C(C)(CC(C)(C)OC)N1CCNCC1
InChIInChI=1S/C14H28N2O3/c1-6-19-12(17)14(4,11-13(2,3)18-5)16-9-7-15-8-10-16/h15H,6-11H2,1-5H3
InChIKeyRIAWTXMPXBNMJV-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-2-piperazin-1-ylbutanoate
CID 61001895
ethyl 2-(1,4-diazepan-1-yl)-3-methoxy-2-methylpropanoate
CID 62536282
ethyl 2-methyl-2-piperazin-1-ylnonanoate
CID 61002741
ethyl 2-(1,4-diazepan-1-yl)-2,4-dimethylpentanoate
CID 54890908
ethyl 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoate
CID 114832094
methyl 2-methyl-2-piperazin-1-yloctanoate
CID 54894792
methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate
CID 61002266
ethyl 2-(4-bromophenyl)-2-piperazin-1-ylpropanoate
CID 61002025
ethyl 2-cyclopropyl-2-(1,4-diazepan-1-yl)pentanoate
CID 114276047
N-ethoxy-2-methyl-2-piperazin-1-ylpropanamide
CID 80549897
ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002272
ethyl 2-(1,4-diazepan-1-yl)-2-phenylpropanoate
CID 60992972

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate?
The IUPAC name of ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate (CID 54895223) is ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate.
What is the SMILES notation for ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate?
The canonical SMILES for ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate is CCOC(=O)C(C)(CC(C)(C)OC)N1CCNCC1.
What is the InChIKey of ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate?
The InChIKey is RIAWTXMPXBNMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-19-12(17)14(4,11-13(2,3)18-5)16-9-7-15-8-10-16/h15H,6-11H2,1-5H3.
What are the key properties of ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate?
ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate is sourced from PubChem (CID 54895223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).