2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride

C13H21Cl3N4O — CID 119848016

IUPAC2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(c2ccc(Cl)cn2)CC1.Cl.Cl
InChIInChI=1S/C13H19ClN4O.2ClH/c1-13(2,15)12(19)18-7-5-17(6-8-18)11-4-3-10(14)9-16-11;;/h3-4,9H,5-8,15H2,1-2H3;2*1H
InChIKeyZOBHQIYNRKADSP-UHFFFAOYSA-N
MW355.70 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride

2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride (PubChem CID 119848016) has the molecular formula C13H21Cl3N4O and a molecular weight of 355.70 g/mol. Its IUPAC name is 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
PubChem CID119848016
Molecular FormulaC13H21Cl3N4O
Molecular Weight355.70 g/mol
Exact Mass354.08
IUPAC Name2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(c2ccc(Cl)cn2)CC1.Cl.Cl
InChIInChI=1S/C13H19ClN4O.2ClH/c1-13(2,15)12(19)18-7-5-17(6-8-18)11-4-3-10(14)9-16-11;;/h3-4,9H,5-8,15H2,1-2H3;2*1H
InChIKeyZOBHQIYNRKADSP-UHFFFAOYSA-N
XLogP1.96
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119848044
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide
CID 95905728
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641984
1-azabicyclo[2.2.2]octan-2-yl-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 138806991
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 122156291
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634302

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride (CID 119848016) is 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride is CC(C)(N)C(=O)N1CCN(c2ccc(Cl)cn2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
The InChIKey is ZOBHQIYNRKADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O.2ClH/c1-13(2,15)12(19)18-7-5-17(6-8-18)11-4-3-10(14)9-16-11;;/h3-4,9H,5-8,15H2,1-2H3;2*1H.
What are the key properties of 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride has a molecular weight of 355.70 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119848016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).