ethyl piperazine-1,4-diium-2-carboxylate dichloride

C7H16Cl2N2O2 — CID 10633256

IUPACethyl piperazine-1,4-diium-2-carboxylate dichloride
SMILESCCOC(=O)C1C[NH2+]CC[NH2+]1.[Cl-].[Cl-]
InChIInChI=1S/C7H14N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h6,8-9H,2-5H2,1H3;2*1H
InChIKeyXUILSFCCCIHPIE-UHFFFAOYSA-N
MW231.12 g/mol
LogP-8.93
Rot. Bonds2

About ethyl piperazine-1,4-diium-2-carboxylate dichloride

ethyl piperazine-1,4-diium-2-carboxylate dichloride (PubChem CID 10633256) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is ethyl piperazine-1,4-diium-2-carboxylate dichloride.

Molecular Properties

Compound Nameethyl piperazine-1,4-diium-2-carboxylate dichloride
PubChem CID10633256
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Nameethyl piperazine-1,4-diium-2-carboxylate dichloride
SMILESCCOC(=O)C1C[NH2+]CC[NH2+]1.[Cl-].[Cl-]
InChIInChI=1S/C7H14N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h6,8-9H,2-5H2,1H3;2*1H
InChIKeyXUILSFCCCIHPIE-UHFFFAOYSA-N
XLogP-8.93
TPSA59.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 5-8.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl piperazine-1,4-diium-2-carboxylate dichloride?
The IUPAC name of ethyl piperazine-1,4-diium-2-carboxylate dichloride (CID 10633256) is ethyl piperazine-1,4-diium-2-carboxylate dichloride.
What is the SMILES notation for ethyl piperazine-1,4-diium-2-carboxylate dichloride?
The canonical SMILES for ethyl piperazine-1,4-diium-2-carboxylate dichloride is CCOC(=O)C1C[NH2+]CC[NH2+]1.[Cl-].[Cl-].
What is the InChIKey of ethyl piperazine-1,4-diium-2-carboxylate dichloride?
The InChIKey is XUILSFCCCIHPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h6,8-9H,2-5H2,1H3;2*1H.
What are the key properties of ethyl piperazine-1,4-diium-2-carboxylate dichloride?
ethyl piperazine-1,4-diium-2-carboxylate dichloride has a molecular weight of 231.12 g/mol, XLogP of -8.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperazine-1,4-diium-2-carboxylate dichloride is sourced from PubChem (CID 10633256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).