bis(2-hydroxyethyl)carbamic acid;piperazine

C9H21N3O4 — CID 67592047

IUPACbis(2-hydroxyethyl)carbamic acid;piperazine
SMILESC1CNCCN1.O=C(O)N(CCO)CCO
InChIInChI=1S/C5H11NO4.C4H10N2/c7-3-1-6(2-4-8)5(9)10;1-2-6-4-3-5-1/h7-8H,1-4H2,(H,9,10);5-6H,1-4H2
InChIKeyJSGPZIVBXADSJA-UHFFFAOYSA-N
MW235.28 g/mol
LogP-1.87
Rot. Bonds4

About bis(2-hydroxyethyl)carbamic acid;piperazine

bis(2-hydroxyethyl)carbamic acid;piperazine (PubChem CID 67592047) has the molecular formula C9H21N3O4 and a molecular weight of 235.28 g/mol. Its IUPAC name is bis(2-hydroxyethyl)carbamic acid;piperazine.

Molecular Properties

Compound Namebis(2-hydroxyethyl)carbamic acid;piperazine
PubChem CID67592047
Molecular FormulaC9H21N3O4
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Namebis(2-hydroxyethyl)carbamic acid;piperazine
SMILESC1CNCCN1.O=C(O)N(CCO)CCO
InChIInChI=1S/C5H11NO4.C4H10N2/c7-3-1-6(2-4-8)5(9)10;1-2-6-4-3-5-1/h7-8H,1-4H2,(H,9,10);5-6H,1-4H2
InChIKeyJSGPZIVBXADSJA-UHFFFAOYSA-N
XLogP-1.87
TPSA105.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)carbamic acid;piperazine?
The IUPAC name of bis(2-hydroxyethyl)carbamic acid;piperazine (CID 67592047) is bis(2-hydroxyethyl)carbamic acid;piperazine.
What is the SMILES notation for bis(2-hydroxyethyl)carbamic acid;piperazine?
The canonical SMILES for bis(2-hydroxyethyl)carbamic acid;piperazine is C1CNCCN1.O=C(O)N(CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)carbamic acid;piperazine?
The InChIKey is JSGPZIVBXADSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4.C4H10N2/c7-3-1-6(2-4-8)5(9)10;1-2-6-4-3-5-1/h7-8H,1-4H2,(H,9,10);5-6H,1-4H2.
What are the key properties of bis(2-hydroxyethyl)carbamic acid;piperazine?
bis(2-hydroxyethyl)carbamic acid;piperazine has a molecular weight of 235.28 g/mol, XLogP of -1.87, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)carbamic acid;piperazine is sourced from PubChem (CID 67592047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).