3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride

C8H19Cl2N3O — CID 2756501

IUPAC3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCN1CCN(C(=O)CCN)CC1.Cl.Cl
InChIInChI=1S/C8H17N3O.2ClH/c1-10-4-6-11(7-5-10)8(12)2-3-9;;/h2-7,9H2,1H3;2*1H
InChIKeyOOYLYHCCNIQDJQ-UHFFFAOYSA-N
MW244.17 g/mol
LogP-0.05
Rot. Bonds2

About 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride

3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 2756501) has the molecular formula C8H19Cl2N3O and a molecular weight of 244.17 g/mol. Its IUPAC name is 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
PubChem CID2756501
Molecular FormulaC8H19Cl2N3O
Molecular Weight244.17 g/mol
Exact Mass243.09
IUPAC Name3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCN1CCN(C(=O)CCN)CC1.Cl.Cl
InChIInChI=1S/C8H17N3O.2ClH/c1-10-4-6-11(7-5-10)8(12)2-3-9;;/h2-7,9H2,1H3;2*1H
InChIKeyOOYLYHCCNIQDJQ-UHFFFAOYSA-N
XLogP-0.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
1-(Piperazin-1-yl)butan-1-one
CID 10749434
3-Amino-1-piperazin-1-yl-propan-1-one
CID 2756536
2-Methyl-1-(piperazin-1-yl)propan-1-one
CID 2761409
3-(4-Methylpiperazin-1-YL)propanamide
CID 21640994
1-(4-Acetylpiperazin-1-yl)-3-aminopropan-1-one--hydrogen chloride (1/1)
CID 2756284
3-Amino-1-(4-methylpiperazin-1-yl)propan-1-one
CID 2756502
1-(2,2-Dimethylpropanoyl)piperazine
CID 2761408
1-(Piperazin-1-yl)propan-1-one hydrochloride
CID 13017829
2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochloride
CID 16248995
1-(4-(3-Aminopropyl)piperazin-1-yl)ethanone
CID 16792591
3-Amino-1-(piperidin-1-yl)propan-1-one hydrochloride
CID 17750344

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 2756501) is 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride is CN1CCN(C(=O)CCN)CC1.Cl.Cl.
What is the InChIKey of 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is OOYLYHCCNIQDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.2ClH/c1-10-4-6-11(7-5-10)8(12)2-3-9;;/h2-7,9H2,1H3;2*1H.
What are the key properties of 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 244.17 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 2756501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).