1-hydroxy-2-prop-2-enylpiperazine

C7H14N2O — CID 66821300

IUPAC1-hydroxy-2-prop-2-enylpiperazine
SMILESC=CCC1CNCCN1O
InChIInChI=1S/C7H14N2O/c1-2-3-7-6-8-4-5-9(7)10/h2,7-8,10H,1,3-6H2
InChIKeyDKGSDEXGTXFNLV-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.23
Rot. Bonds2

About 1-hydroxy-2-prop-2-enylpiperazine

1-hydroxy-2-prop-2-enylpiperazine (PubChem CID 66821300) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-hydroxy-2-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-hydroxy-2-prop-2-enylpiperazine
PubChem CID66821300
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-hydroxy-2-prop-2-enylpiperazine
SMILESC=CCC1CNCCN1O
InChIInChI=1S/C7H14N2O/c1-2-3-7-6-8-4-5-9(7)10/h2,7-8,10H,1,3-6H2
InChIKeyDKGSDEXGTXFNLV-UHFFFAOYSA-N
XLogP0.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-prop-2-enylpiperazine?
The IUPAC name of 1-hydroxy-2-prop-2-enylpiperazine (CID 66821300) is 1-hydroxy-2-prop-2-enylpiperazine.
What is the SMILES notation for 1-hydroxy-2-prop-2-enylpiperazine?
The canonical SMILES for 1-hydroxy-2-prop-2-enylpiperazine is C=CCC1CNCCN1O.
What is the InChIKey of 1-hydroxy-2-prop-2-enylpiperazine?
The InChIKey is DKGSDEXGTXFNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-7-6-8-4-5-9(7)10/h2,7-8,10H,1,3-6H2.
What are the key properties of 1-hydroxy-2-prop-2-enylpiperazine?
1-hydroxy-2-prop-2-enylpiperazine has a molecular weight of 142.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-prop-2-enylpiperazine is sourced from PubChem (CID 66821300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).