1-prop-2-enylpiperazine-2,2-diol

C7H14N2O2 — CID 66959068

IUPAC1-prop-2-enylpiperazine-2,2-diol
SMILESC=CCN1CCNCC1(O)O
InChIInChI=1S/C7H14N2O2/c1-2-4-9-5-3-8-6-7(9,10)11/h2,8,10-11H,1,3-6H2
InChIKeyNFUPCPDDFYZLGH-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.28
Rot. Bonds2

About 1-prop-2-enylpiperazine-2,2-diol

1-prop-2-enylpiperazine-2,2-diol (PubChem CID 66959068) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-prop-2-enylpiperazine-2,2-diol.

Molecular Properties

Compound Name1-prop-2-enylpiperazine-2,2-diol
PubChem CID66959068
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-prop-2-enylpiperazine-2,2-diol
SMILESC=CCN1CCNCC1(O)O
InChIInChI=1S/C7H14N2O2/c1-2-4-9-5-3-8-6-7(9,10)11/h2,8,10-11H,1,3-6H2
InChIKeyNFUPCPDDFYZLGH-UHFFFAOYSA-N
XLogP-1.28
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpiperazine-2,2-diol?
The IUPAC name of 1-prop-2-enylpiperazine-2,2-diol (CID 66959068) is 1-prop-2-enylpiperazine-2,2-diol.
What is the SMILES notation for 1-prop-2-enylpiperazine-2,2-diol?
The canonical SMILES for 1-prop-2-enylpiperazine-2,2-diol is C=CCN1CCNCC1(O)O.
What is the InChIKey of 1-prop-2-enylpiperazine-2,2-diol?
The InChIKey is NFUPCPDDFYZLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-4-9-5-3-8-6-7(9,10)11/h2,8,10-11H,1,3-6H2.
What are the key properties of 1-prop-2-enylpiperazine-2,2-diol?
1-prop-2-enylpiperazine-2,2-diol has a molecular weight of 158.20 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperazine-2,2-diol is sourced from PubChem (CID 66959068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).