ethyl 2-(4-methylpiperazin-1-yl)propanoate

C10H20N2O2 — CID 45032962

IUPACethyl 2-(4-methylpiperazin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-4-14-10(13)9(2)12-7-5-11(3)6-8-12/h9H,4-8H2,1-3H3
InChIKeyLYCVPFCDPTXHQX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.19
Rot. Bonds3

About ethyl 2-(4-methylpiperazin-1-yl)propanoate

ethyl 2-(4-methylpiperazin-1-yl)propanoate (PubChem CID 45032962) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperazin-1-yl)propanoate
PubChem CID45032962
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 2-(4-methylpiperazin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-4-14-10(13)9(2)12-7-5-11(3)6-8-12/h9H,4-8H2,1-3H3
InChIKeyLYCVPFCDPTXHQX-UHFFFAOYSA-N
XLogP0.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)propanoate?
The IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)propanoate (CID 45032962) is ethyl 2-(4-methylpiperazin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(4-methylpiperazin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(4-methylpiperazin-1-yl)propanoate is CCOC(=O)C(C)N1CCN(C)CC1.
What is the InChIKey of ethyl 2-(4-methylpiperazin-1-yl)propanoate?
The InChIKey is LYCVPFCDPTXHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-14-10(13)9(2)12-7-5-11(3)6-8-12/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(4-methylpiperazin-1-yl)propanoate?
ethyl 2-(4-methylpiperazin-1-yl)propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpiperazin-1-yl)propanoate is sourced from PubChem (CID 45032962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).