(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride

C12H19Cl2N3O — CID 119564691

IUPAC(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
SMILESCC1CN(C(=O)c2ccccn2)CC(C)N1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-7-15(8-10(2)14-9)12(16)11-5-3-4-6-13-11;;/h3-6,9-10,14H,7-8H2,1-2H3;2*1H
InChIKeyVVUQVBYGXKJXMY-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.75
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride

(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride (PubChem CID 119564691) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
PubChem CID119564691
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
SMILESCC1CN(C(=O)c2ccccn2)CC(C)N1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-7-15(8-10(2)14-9)12(16)11-5-3-4-6-13-11;;/h3-6,9-10,14H,7-8H2,1-2H3;2*1H
InChIKeyVVUQVBYGXKJXMY-UHFFFAOYSA-N
XLogP1.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 121184939
(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119564341
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119564484
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124590097
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride (CID 119564691) is (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride is CC1CN(C(=O)c2ccccn2)CC(C)N1.Cl.Cl.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride?
The InChIKey is VVUQVBYGXKJXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c1-9-7-15(8-10(2)14-9)12(16)11-5-3-4-6-13-11;;/h3-6,9-10,14H,7-8H2,1-2H3;2*1H.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride?
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119564691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).