3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol

C10H18N2O — CID 70457069

IUPAC3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol
SMILESC=CCN1CCNCC1CC=CO
InChIInChI=1S/C10H18N2O/c1-2-6-12-7-5-11-9-10(12)4-3-8-13/h2-3,8,10-11,13H,1,4-7,9H2
InChIKeyDZKGWFOQJKWMDC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.91
Rot. Bonds4

About 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol

3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol (PubChem CID 70457069) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol
PubChem CID70457069
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol
SMILESC=CCN1CCNCC1CC=CO
InChIInChI=1S/C10H18N2O/c1-2-6-12-7-5-11-9-10(12)4-3-8-13/h2-3,8,10-11,13H,1,4-7,9H2
InChIKeyDZKGWFOQJKWMDC-UHFFFAOYSA-N
XLogP0.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol?
The IUPAC name of 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol (CID 70457069) is 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol.
What is the SMILES notation for 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol?
The canonical SMILES for 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol is C=CCN1CCNCC1CC=CO.
What is the InChIKey of 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol?
The InChIKey is DZKGWFOQJKWMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-6-12-7-5-11-9-10(12)4-3-8-13/h2-3,8,10-11,13H,1,4-7,9H2.
What are the key properties of 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol?
3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol has a molecular weight of 182.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-2-enylpiperazin-2-yl)prop-1-en-1-ol is sourced from PubChem (CID 70457069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).