2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride

C13H26ClN3O — CID 120996566

IUPAC2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-13(2,3)12(17)16-7-4-11(10-16)15-8-5-14-6-9-15;/h11,14H,4-10H2,1-3H3;1H
InChIKeyVORKSDGOGIRZBQ-UHFFFAOYSA-N
MW275.82 g/mol
LogP0.96
Rot. Bonds1

About 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride

2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride (PubChem CID 120996566) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
PubChem CID120996566
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Name2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-13(2,3)12(17)16-7-4-11(10-16)15-8-5-14-6-9-15;/h11,14H,4-10H2,1-3H3;1H
InChIKeyVORKSDGOGIRZBQ-UHFFFAOYSA-N
XLogP0.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
2-cyclopentyl-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994540
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
2-(4-chlorophenyl)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996904
2-methyl-2-(4-nitrophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120995254
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
2-(4-fluorophenoxy)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997590
2-(3,4-dimethoxyphenyl)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120997129
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995474

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride (CID 120996566) is 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride is CC(C)(C)C(=O)N1CCC(N2CCNCC2)C1.Cl.
What is the InChIKey of 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is VORKSDGOGIRZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-13(2,3)12(17)16-7-4-11(10-16)15-8-5-14-6-9-15;/h11,14H,4-10H2,1-3H3;1H.
What are the key properties of 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride?
2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120996566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).