2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one

C13H26N2O2 — CID 112686300

IUPAC2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
SMILESCOC(C)C(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)5-6-14-7-9-15(10-8-14)13(16)12(3)17-4/h11-12H,5-10H2,1-4H3
InChIKeyFMTZYTRTDKCJFG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds5

About 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one

2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one (PubChem CID 112686300) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
PubChem CID112686300
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
SMILESCOC(C)C(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)5-6-14-7-9-15(10-8-14)13(16)12(3)17-4/h11-12H,5-10H2,1-4H3
InChIKeyFMTZYTRTDKCJFG-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Bis(isopropoxyacetyl)piperazine
CID 205041
1-(4-Methylpiperidin-1-yl)-2-(2-methylpropoxy)propan-1-one
CID 45818538
2-(2-Methylpropoxy)-1-piperidin-1-ylpropan-1-one
CID 51079669
2-Methoxy-1-piperidin-1-ylpropan-1-one
CID 91035454
1-[4-(2-Methoxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 52360841
US10689398, Example 37
CID 137370663
US10689398, Example 36
CID 137370738
2-Methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 53517550
2-(3-Methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 86848429
(2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
CID 95341089
4-(2-Ethoxy-2-methylpropanoyl)-1-propylpiperazin-2-one
CID 129608651
2-Methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 112685703

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one (CID 112686300) is 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one is COC(C)C(=O)N1CCN(CCC(C)C)CC1.
What is the InChIKey of 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
The InChIKey is FMTZYTRTDKCJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)5-6-14-7-9-15(10-8-14)13(16)12(3)17-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 112686300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).