(2S)-2-(2-methoxyethyl)piperazine;dihydrochloride

C7H18Cl2N2O — CID 86346384

IUPAC(2S)-2-(2-methoxyethyl)piperazine;dihydrochloride
SMILESCOCC[C@H]1CNCCN1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-10-5-2-7-6-8-3-4-9-7;;/h7-9H,2-6H2,1H3;2*1H/t7-;;/m0../s1
InChIKeyBNVRLRCEESAZEY-KLXURFKVSA-N
MW217.14 g/mol
LogP0.43
Rot. Bonds3

About (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride

(2S)-2-(2-methoxyethyl)piperazine;dihydrochloride (PubChem CID 86346384) has the molecular formula C7H18Cl2N2O and a molecular weight of 217.14 g/mol. Its IUPAC name is (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-(2-methoxyethyl)piperazine;dihydrochloride
PubChem CID86346384
Molecular FormulaC7H18Cl2N2O
Molecular Weight217.14 g/mol
Exact Mass216.08
IUPAC Name(2S)-2-(2-methoxyethyl)piperazine;dihydrochloride
SMILESCOCC[C@H]1CNCCN1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-10-5-2-7-6-8-3-4-9-7;;/h7-9H,2-6H2,1H3;2*1H/t7-;;/m0../s1
InChIKeyBNVRLRCEESAZEY-KLXURFKVSA-N
XLogP0.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride?
The IUPAC name of (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride (CID 86346384) is (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride.
What is the SMILES notation for (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride?
The canonical SMILES for (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride is COCC[C@H]1CNCCN1.Cl.Cl.
What is the InChIKey of (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride?
The InChIKey is BNVRLRCEESAZEY-KLXURFKVSA-N. The full InChI is InChI=1S/C7H16N2O.2ClH/c1-10-5-2-7-6-8-3-4-9-7;;/h7-9H,2-6H2,1H3;2*1H/t7-;;/m0../s1.
What are the key properties of (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride?
(2S)-2-(2-methoxyethyl)piperazine;dihydrochloride has a molecular weight of 217.14 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyethyl)piperazine;dihydrochloride is sourced from PubChem (CID 86346384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).