ethyl 3-(4-propylpiperazin-1-yl)propanoate

C12H24N2O2 — CID 43242668

IUPACethyl 3-(4-propylpiperazin-1-yl)propanoate
SMILESCCCN1CCN(CCC(=O)OCC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-6-13-8-10-14(11-9-13)7-5-12(15)16-4-2/h3-11H2,1-2H3
InChIKeyHEWZUBGIJBHRMV-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds6

About ethyl 3-(4-propylpiperazin-1-yl)propanoate

ethyl 3-(4-propylpiperazin-1-yl)propanoate (PubChem CID 43242668) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 3-(4-propylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-propylpiperazin-1-yl)propanoate
PubChem CID43242668
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 3-(4-propylpiperazin-1-yl)propanoate
SMILESCCCN1CCN(CCC(=O)OCC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-6-13-8-10-14(11-9-13)7-5-12(15)16-4-2/h3-11H2,1-2H3
InChIKeyHEWZUBGIJBHRMV-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-propylpiperazin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4-propylpiperazin-1-yl)propanoate (CID 43242668) is ethyl 3-(4-propylpiperazin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-propylpiperazin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4-propylpiperazin-1-yl)propanoate is CCCN1CCN(CCC(=O)OCC)CC1.
What is the InChIKey of ethyl 3-(4-propylpiperazin-1-yl)propanoate?
The InChIKey is HEWZUBGIJBHRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-6-13-8-10-14(11-9-13)7-5-12(15)16-4-2/h3-11H2,1-2H3.
What are the key properties of ethyl 3-(4-propylpiperazin-1-yl)propanoate?
ethyl 3-(4-propylpiperazin-1-yl)propanoate has a molecular weight of 228.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-propylpiperazin-1-yl)propanoate is sourced from PubChem (CID 43242668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).