(2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride

C12H25Cl2N3O — CID 119885488

IUPAC(2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride
SMILESCC1CN(C)CCN1C(=O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C12H23N3O.2ClH/c1-10-9-14(2)7-8-15(10)12(16)11-3-5-13-6-4-11;;/h10-11,13H,3-9H2,1-2H3;2*1H
InChIKeyTWGNGBNYYSGSRM-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.99
Rot. Bonds1

About (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride

(2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride (PubChem CID 119885488) has the molecular formula C12H25Cl2N3O and a molecular weight of 298.26 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride
PubChem CID119885488
Molecular FormulaC12H25Cl2N3O
Molecular Weight298.26 g/mol
Exact Mass297.14
IUPAC Name(2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride
SMILESCC1CN(C)CCN1C(=O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C12H23N3O.2ClH/c1-10-9-14(2)7-8-15(10)12(16)11-3-5-13-6-4-11;;/h10-11,13H,3-9H2,1-2H3;2*1H
InChIKeyTWGNGBNYYSGSRM-UHFFFAOYSA-N
XLogP0.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110741134
(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 103814614
1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114085746
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 114085731
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 59401908
piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593112
[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
ethane;N,2,4-trimethylpiperazine-1-carboxamide
CID 144801941

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride (CID 119885488) is (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride is CC1CN(C)CCN1C(=O)C1CCNCC1.Cl.Cl.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride?
The InChIKey is TWGNGBNYYSGSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.2ClH/c1-10-9-14(2)7-8-15(10)12(16)11-3-5-13-6-4-11;;/h10-11,13H,3-9H2,1-2H3;2*1H.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride?
(2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride has a molecular weight of 298.26 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride is sourced from PubChem (CID 119885488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).