(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride

C11H17Cl2N3O — CID 119401446

IUPAC(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCc1ccncc1C(=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-9-2-3-13-8-10(9)11(15)14-6-4-12-5-7-14;;/h2-3,8,12H,4-7H2,1H3;2*1H
InChIKeyRYQASZKDTSZITN-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.28
Rot. Bonds1

About (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride

(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride (PubChem CID 119401446) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
PubChem CID119401446
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCc1ccncc1C(=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-9-2-3-13-8-10(9)11(15)14-6-4-12-5-7-14;;/h2-3,8,12H,4-7H2,1H3;2*1H
InChIKeyRYQASZKDTSZITN-UHFFFAOYSA-N
XLogP1.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 128721004
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
CID 110197948
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643
isoquinolin-6-yl(piperazin-1-yl)methanone
CID 110485113
1,4-diazepan-1-yl-(2,5-dimethylphenyl)methanone
CID 18071803
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155831091
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489
(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154920114
N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
CID 164631317

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride?
The IUPAC name of (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride (CID 119401446) is (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride?
The canonical SMILES for (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride is Cc1ccncc1C(=O)N1CCNCC1.Cl.Cl.
What is the InChIKey of (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride?
The InChIKey is RYQASZKDTSZITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c1-9-2-3-13-8-10(9)11(15)14-6-4-12-5-7-14;;/h2-3,8,12H,4-7H2,1H3;2*1H.
What are the key properties of (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride?
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 119401446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).