2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride

C7H18Cl2N2O — CID 155821936

IUPAC2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride
SMILESCN1CCN[C@@H](CCO)C1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-9-4-3-8-7(6-9)2-5-10;;/h7-8,10H,2-6H2,1H3;2*1H/t7-;;/m0../s1
InChIKeyQCGJLQFTDVGCFZ-KLXURFKVSA-N
MW217.14 g/mol
LogP0.12
Rot. Bonds2

About 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride

2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride (PubChem CID 155821936) has the molecular formula C7H18Cl2N2O and a molecular weight of 217.14 g/mol. Its IUPAC name is 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride
PubChem CID155821936
Molecular FormulaC7H18Cl2N2O
Molecular Weight217.14 g/mol
Exact Mass216.08
IUPAC Name2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride
SMILESCN1CCN[C@@H](CCO)C1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-9-4-3-8-7(6-9)2-5-10;;/h7-8,10H,2-6H2,1H3;2*1H/t7-;;/m0../s1
InChIKeyQCGJLQFTDVGCFZ-KLXURFKVSA-N
XLogP0.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride (CID 155821936) is 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride is CN1CCN[C@@H](CCO)C1.Cl.Cl.
What is the InChIKey of 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride?
The InChIKey is QCGJLQFTDVGCFZ-KLXURFKVSA-N. The full InChI is InChI=1S/C7H16N2O.2ClH/c1-9-4-3-8-7(6-9)2-5-10;;/h7-8,10H,2-6H2,1H3;2*1H/t7-;;/m0../s1.
What are the key properties of 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride?
2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride has a molecular weight of 217.14 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-methylpiperazin-2-yl]ethanol;dihydrochloride is sourced from PubChem (CID 155821936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).