2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride

C15H24Cl3N3O — CID 119832630

IUPAC2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C15H22ClN3O.2ClH/c1-15(2,17)14(20)19-8-6-18(7-9-19)11-12-4-3-5-13(16)10-12;;/h3-5,10H,6-9,11,17H2,1-2H3;2*1H
InChIKeyJLBRETXZFUSLHS-UHFFFAOYSA-N
MW368.74 g/mol
LogP2.57
Rot. Bonds3

About 2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride

2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride (PubChem CID 119832630) has the molecular formula C15H24Cl3N3O and a molecular weight of 368.74 g/mol. Its IUPAC name is 2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
PubChem CID119832630
Molecular FormulaC15H24Cl3N3O
Molecular Weight368.74 g/mol
Exact Mass367.10
IUPAC Name2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C15H22ClN3O.2ClH/c1-15(2,17)14(20)19-8-6-18(7-9-19)11-12-4-3-5-13(16)10-12;;/h3-5,10H,6-9,11,17H2,1-2H3;2*1H
InChIKeyJLBRETXZFUSLHS-UHFFFAOYSA-N
XLogP2.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19323616
3-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502539
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119832689
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342111
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012070
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119832653
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
N-[2-[[C-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111357465
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
The IUPAC name of 2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride (CID 119832630) is 2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride is CC(C)(N)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
The InChIKey is JLBRETXZFUSLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.2ClH/c1-15(2,17)14(20)19-8-6-18(7-9-19)11-12-4-3-5-13(16)10-12;;/h3-5,10H,6-9,11,17H2,1-2H3;2*1H.
What are the key properties of 2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride?
2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride has a molecular weight of 368.74 g/mol, XLogP of 2.57, 3 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-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119832630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).