2-piperazin-1-ylethyl propanoate

C9H18N2O2 — CID 54030741

IUPAC2-piperazin-1-ylethyl propanoate
SMILESCCC(=O)OCCN1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-2-9(12)13-8-7-11-5-3-10-4-6-11/h10H,2-8H2,1H3
InChIKeyLFKFPQJKBQKGQP-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds4

About 2-piperazin-1-ylethyl propanoate

2-piperazin-1-ylethyl propanoate (PubChem CID 54030741) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-piperazin-1-ylethyl propanoate.

Molecular Properties

Compound Name2-piperazin-1-ylethyl propanoate
PubChem CID54030741
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-piperazin-1-ylethyl propanoate
SMILESCCC(=O)OCCN1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-2-9(12)13-8-7-11-5-3-10-4-6-11/h10H,2-8H2,1H3
InChIKeyLFKFPQJKBQKGQP-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethyl propanoate?
The IUPAC name of 2-piperazin-1-ylethyl propanoate (CID 54030741) is 2-piperazin-1-ylethyl propanoate.
What is the SMILES notation for 2-piperazin-1-ylethyl propanoate?
The canonical SMILES for 2-piperazin-1-ylethyl propanoate is CCC(=O)OCCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethyl propanoate?
The InChIKey is LFKFPQJKBQKGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-9(12)13-8-7-11-5-3-10-4-6-11/h10H,2-8H2,1H3.
What are the key properties of 2-piperazin-1-ylethyl propanoate?
2-piperazin-1-ylethyl propanoate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethyl propanoate is sourced from PubChem (CID 54030741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).