1-prop-2-enylpiperazin-2-ol

C7H14N2O — CID 67023773

IUPAC1-prop-2-enylpiperazin-2-ol
SMILESC=CCN1CCNCC1O
InChIInChI=1S/C7H14N2O/c1-2-4-9-5-3-8-6-7(9)10/h2,7-8,10H,1,3-6H2
InChIKeyDTIGNNYZSMWYEV-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.60
Rot. Bonds2

About 1-prop-2-enylpiperazin-2-ol

1-prop-2-enylpiperazin-2-ol (PubChem CID 67023773) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-prop-2-enylpiperazin-2-ol.

Molecular Properties

Compound Name1-prop-2-enylpiperazin-2-ol
PubChem CID67023773
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-prop-2-enylpiperazin-2-ol
SMILESC=CCN1CCNCC1O
InChIInChI=1S/C7H14N2O/c1-2-4-9-5-3-8-6-7(9)10/h2,7-8,10H,1,3-6H2
InChIKeyDTIGNNYZSMWYEV-UHFFFAOYSA-N
XLogP-0.60
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 ≤ 5-0.60
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-prop-2-enylpiperazin-2-ol?
The IUPAC name of 1-prop-2-enylpiperazin-2-ol (CID 67023773) is 1-prop-2-enylpiperazin-2-ol.
What is the SMILES notation for 1-prop-2-enylpiperazin-2-ol?
The canonical SMILES for 1-prop-2-enylpiperazin-2-ol is C=CCN1CCNCC1O.
What is the InChIKey of 1-prop-2-enylpiperazin-2-ol?
The InChIKey is DTIGNNYZSMWYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-4-9-5-3-8-6-7(9)10/h2,7-8,10H,1,3-6H2.
What are the key properties of 1-prop-2-enylpiperazin-2-ol?
1-prop-2-enylpiperazin-2-ol has a molecular weight of 142.20 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperazin-2-ol is sourced from PubChem (CID 67023773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).