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

C8H19Cl2N3O2 — CID 2756446

IUPAC2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C8H17N3O2.2ClH/c9-7-8(13)11-3-1-10(2-4-11)5-6-12;;/h12H,1-7,9H2;2*1H
InChIKeyNXFLUBXREKFKBB-UHFFFAOYSA-N
MW260.16 g/mol
LogP-1.07
Rot. Bonds3

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

2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 2756446) has the molecular formula C8H19Cl2N3O2 and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID2756446
Molecular FormulaC8H19Cl2N3O2
Molecular Weight260.16 g/mol
Exact Mass259.09
IUPAC Name2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C8H17N3O2.2ClH/c9-7-8(13)11-3-1-10(2-4-11)5-6-12;;/h12H,1-7,9H2;2*1H
InChIKeyNXFLUBXREKFKBB-UHFFFAOYSA-N
XLogP-1.07
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride (CID 2756446) is 2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride is Cl.Cl.NCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is NXFLUBXREKFKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2.2ClH/c9-7-8(13)11-3-1-10(2-4-11)5-6-12;;/h12H,1-7,9H2;2*1H.
What are the key properties of 2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride?
2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 260.16 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 2756446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).