3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride

C10H22Cl2N2O — CID 43810585

IUPAC3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
SMILESCC(C)(C)C(=O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H20N2O.2ClH/c1-10(2,3)9(13)8-12-6-4-11-5-7-12;;/h11H,4-8H2,1-3H3;2*1H
InChIKeyLFJQCFOIZCTBIB-UHFFFAOYSA-N
MW257.20 g/mol
LogP1.35
Rot. Bonds2

About 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride

3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride (PubChem CID 43810585) has the molecular formula C10H22Cl2N2O and a molecular weight of 257.20 g/mol. Its IUPAC name is 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
PubChem CID43810585
Molecular FormulaC10H22Cl2N2O
Molecular Weight257.20 g/mol
Exact Mass256.11
IUPAC Name3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
SMILESCC(C)(C)C(=O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H20N2O.2ClH/c1-10(2,3)9(13)8-12-6-4-11-5-7-12;;/h11H,4-8H2,1-3H3;2*1H
InChIKeyLFJQCFOIZCTBIB-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
1-piperazin-1-ylbutan-2-one;hydrochloride
CID 69258100
2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride
CID 174708967
ethane;2-piperazin-1-ylacetic acid
CID 143723779
N-tert-butyl-2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 155476712
CID 140659696
CID 140659696
2-piperazin-1-ylacetyl iodide
CID 153235141
1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
3-methylpentan-3-yl 2-piperazin-1-ylacetate
CID 169025399

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride?
The IUPAC name of 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride (CID 43810585) is 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride?
The canonical SMILES for 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride is CC(C)(C)C(=O)CN1CCNCC1.Cl.Cl.
What is the InChIKey of 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride?
The InChIKey is LFJQCFOIZCTBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2ClH/c1-10(2,3)9(13)8-12-6-4-11-5-7-12;;/h11H,4-8H2,1-3H3;2*1H.
What are the key properties of 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride?
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride has a molecular weight of 257.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride is sourced from PubChem (CID 43810585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).