2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride

C13H21Cl2N3O — CID 119837589

IUPAC2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCc1cccc(N2CCN(C(=O)CN)CC2)c1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-11-3-2-4-12(9-11)15-5-7-16(8-6-15)13(17)10-14;;/h2-4,9H,5-8,10,14H2,1H3;2*1H
InChIKeyXLTNMFNEYJCOQF-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.45
Rot. Bonds2

About 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride

2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119837589) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119837589
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCc1cccc(N2CCN(C(=O)CN)CC2)c1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-11-3-2-4-12(9-11)15-5-7-16(8-6-15)13(17)10-14;;/h2-4,9H,5-8,10,14H2,1H3;2*1H
InChIKeyXLTNMFNEYJCOQF-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
2-amino-1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]ethanone
CID 82124959
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
2-(3-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004018
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one
CID 82846569
(2S)-2-amino-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 23007958
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119837589) is 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride is Cc1cccc(N2CCN(C(=O)CN)CC2)c1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is XLTNMFNEYJCOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c1-11-3-2-4-12(9-11)15-5-7-16(8-6-15)13(17)10-14;;/h2-4,9H,5-8,10,14H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride?
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119837589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).