2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride

C18H22Cl4N4O — CID 120595187

IUPAC2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
SMILESCC(N)(C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H20Cl2N4O.2ClH/c1-18(21,13-5-3-2-4-6-13)17(25)24-9-7-23(8-10-24)16-15(20)11-14(19)12-22-16;;/h2-6,11-12H,7-10,21H2,1H3;2*1H
InChIKeyDLYOHKVXJDJEDW-UHFFFAOYSA-N
MW452.21 g/mol
LogP3.75
Rot. Bonds3

About 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride

2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride (PubChem CID 120595187) has the molecular formula C18H22Cl4N4O and a molecular weight of 452.21 g/mol. Its IUPAC name is 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
PubChem CID120595187
Molecular FormulaC18H22Cl4N4O
Molecular Weight452.21 g/mol
Exact Mass450.05
IUPAC Name2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
SMILESCC(N)(C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H20Cl2N4O.2ClH/c1-18(21,13-5-3-2-4-6-13)17(25)24-9-7-23(8-10-24)16-15(20)11-14(19)12-22-16;;/h2-6,11-12H,7-10,21H2,1H3;2*1H
InChIKeyDLYOHKVXJDJEDW-UHFFFAOYSA-N
XLogP3.75
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
(2S)-2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119844383
(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119844341
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 119844372
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 87006631
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
3-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]butan-1-one
CID 119844408
2-(4-aminophenyl)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119844349
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 75470049
2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589011
2-[[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 119906280

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride (CID 120595187) is 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride is CC(N)(C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride?
The InChIKey is DLYOHKVXJDJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O.2ClH/c1-18(21,13-5-3-2-4-6-13)17(25)24-9-7-23(8-10-24)16-15(20)11-14(19)12-22-16;;/h2-6,11-12H,7-10,21H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride?
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride has a molecular weight of 452.21 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120595187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).