2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one

C13H26N2O2 — CID 119578968

IUPAC2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCC(C)CCOC(C)C(=O)N1CCNC(C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)5-8-17-12(4)13(16)15-7-6-14-11(3)9-15/h10-12,14H,5-9H2,1-4H3
InChIKeyUWFLEXOVYISCPW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one

2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one (PubChem CID 119578968) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
PubChem CID119578968
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCC(C)CCOC(C)C(=O)N1CCNC(C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)5-8-17-12(4)13(16)15-7-6-14-11(3)9-15/h10-12,14H,5-9H2,1-4H3
InChIKeyUWFLEXOVYISCPW-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one (CID 119578968) is 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one is CC(C)CCOC(C)C(=O)N1CCNC(C)C1.
What is the InChIKey of 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one?
The InChIKey is UWFLEXOVYISCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)5-8-17-12(4)13(16)15-7-6-14-11(3)9-15/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one?
2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 119578968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).