(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride

C12H19Cl2N3O — CID 119578639

IUPAC(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
SMILESCc1ncccc1C(=O)N1CCNC(C)C1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-8-15(7-6-13-9)12(16)11-4-3-5-14-10(11)2;;/h3-5,9,13H,6-8H2,1-2H3;2*1H
InChIKeyOPMIFNLPVMDBGR-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.67
Rot. Bonds1

About (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride

(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride (PubChem CID 119578639) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
PubChem CID119578639
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
SMILESCc1ncccc1C(=O)N1CCNC(C)C1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-8-15(7-6-13-9)12(16)11-4-3-5-14-10(11)2;;/h3-5,9,13H,6-8H2,1-2H3;2*1H
InChIKeyOPMIFNLPVMDBGR-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428714
(2-ethylsulfonylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124591302
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride?
The IUPAC name of (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride (CID 119578639) is (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride is Cc1ncccc1C(=O)N1CCNC(C)C1.Cl.Cl.
What is the InChIKey of (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride?
The InChIKey is OPMIFNLPVMDBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c1-9-8-15(7-6-13-9)12(16)11-4-3-5-14-10(11)2;;/h3-5,9,13H,6-8H2,1-2H3;2*1H.
What are the key properties of (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride?
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119578639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).