3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one

C10H20N2O2 — CID 2972494

IUPAC3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCCOCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-3-14-9-4-10(13)12-7-5-11(2)6-8-12/h3-9H2,1-2H3
InChIKeyQCDZPHJVIBWKSA-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.19
Rot. Bonds4

About 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one

3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 2972494) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID2972494
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCCOCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-3-14-9-4-10(13)12-7-5-11(2)6-8-12/h3-9H2,1-2H3
InChIKeyQCDZPHJVIBWKSA-UHFFFAOYSA-N
XLogP0.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one (CID 2972494) is 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one is CCOCCC(=O)N1CCN(C)CC1.
What is the InChIKey of 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is QCDZPHJVIBWKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-14-9-4-10(13)12-7-5-11(2)6-8-12/h3-9H2,1-2H3.
What are the key properties of 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one?
3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2972494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).