1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone

C11H22N2O2 — CID 103722221

IUPAC1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-4-7-15-8-10(14)13-6-5-12-11(2,3)9-13/h12H,4-9H2,1-3H3
InChIKeyYLPDDOCRTLVUQC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone

1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone (PubChem CID 103722221) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone
PubChem CID103722221
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-4-7-15-8-10(14)13-6-5-12-11(2,3)9-13/h12H,4-9H2,1-3H3
InChIKeyYLPDDOCRTLVUQC-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone
CID 107941611
3-(2,2-difluoroethoxy)-1-(3,3-dimethylpiperazin-1-yl)propan-1-one
CID 103206298
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propoxyethanone
CID 120803973
1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 79001578
1-(1,4-diazepan-1-yl)-2-propoxyethanone;hydrochloride
CID 119415667
4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid
CID 103932837
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874
7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 113239192
1-[4-(2-propoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 113227408
2,2,2-trichloro-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 82245855
1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one
CID 79507159
1-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pentoxyethanone
CID 126842122

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone?
The IUPAC name of 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone (CID 103722221) is 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone.
What is the SMILES notation for 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone?
The canonical SMILES for 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone is CCCOCC(=O)N1CCNC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone?
The InChIKey is YLPDDOCRTLVUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-7-15-8-10(14)13-6-5-12-11(2,3)9-13/h12H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone?
1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone is sourced from PubChem (CID 103722221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).