2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride

C8H18Cl2N2O3 — CID 2759307

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN1CCN(CCO)CC1
InChIInChI=1S/C8H16N2O3.2ClH/c11-6-5-9-1-3-10(4-2-9)7-8(12)13;;/h11H,1-7H2,(H,12,13);2*1H
InChIKeyAHWYQZPJBRAZOJ-UHFFFAOYSA-N
MW261.15 g/mol
LogP-0.48
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride

2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride (PubChem CID 2759307) has the molecular formula C8H18Cl2N2O3 and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride
PubChem CID2759307
Molecular FormulaC8H18Cl2N2O3
Molecular Weight261.15 g/mol
Exact Mass260.07
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN1CCN(CCO)CC1
InChIInChI=1S/C8H16N2O3.2ClH/c11-6-5-9-1-3-10(4-2-9)7-8(12)13;;/h11H,1-7H2,(H,12,13);2*1H
InChIKeyAHWYQZPJBRAZOJ-UHFFFAOYSA-N
XLogP-0.48
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride (CID 2759307) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride is Cl.Cl.O=C(O)CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride?
The InChIKey is AHWYQZPJBRAZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.2ClH/c11-6-5-9-1-3-10(4-2-9)7-8(12)13;;/h11H,1-7H2,(H,12,13);2*1H.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride?
2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride has a molecular weight of 261.15 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid;dihydrochloride is sourced from PubChem (CID 2759307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).