ethyl 4-piperazin-1-ylbutanoate

C10H20N2O2 — CID 10798105

IUPACethyl 4-piperazin-1-ylbutanoate
SMILESCCOC(=O)CCCN1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-14-10(13)4-3-7-12-8-5-11-6-9-12/h11H,2-9H2,1H3
InChIKeyKBLKVGMCKQAKDJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds5

About ethyl 4-piperazin-1-ylbutanoate

ethyl 4-piperazin-1-ylbutanoate (PubChem CID 10798105) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 4-piperazin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-piperazin-1-ylbutanoate
PubChem CID10798105
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 4-piperazin-1-ylbutanoate
SMILESCCOC(=O)CCCN1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-14-10(13)4-3-7-12-8-5-11-6-9-12/h11H,2-9H2,1H3
InChIKeyKBLKVGMCKQAKDJ-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperazin-1-ylbutanoate?
The IUPAC name of ethyl 4-piperazin-1-ylbutanoate (CID 10798105) is ethyl 4-piperazin-1-ylbutanoate.
What is the SMILES notation for ethyl 4-piperazin-1-ylbutanoate?
The canonical SMILES for ethyl 4-piperazin-1-ylbutanoate is CCOC(=O)CCCN1CCNCC1.
What is the InChIKey of ethyl 4-piperazin-1-ylbutanoate?
The InChIKey is KBLKVGMCKQAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-14-10(13)4-3-7-12-8-5-11-6-9-12/h11H,2-9H2,1H3.
What are the key properties of ethyl 4-piperazin-1-ylbutanoate?
ethyl 4-piperazin-1-ylbutanoate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperazin-1-ylbutanoate is sourced from PubChem (CID 10798105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).