2-(4-prop-2-enylpiperazin-1-yl)ethanol

C9H18N2O — CID 4739633

IUPAC2-(4-prop-2-enylpiperazin-1-yl)ethanol
SMILESC=CCN1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2,12H,1,3-9H2
InChIKeyOIIANXCKEGUVFK-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.22
Rot. Bonds4

About 2-(4-prop-2-enylpiperazin-1-yl)ethanol

2-(4-prop-2-enylpiperazin-1-yl)ethanol (PubChem CID 4739633) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(4-prop-2-enylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-prop-2-enylpiperazin-1-yl)ethanol
PubChem CID4739633
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(4-prop-2-enylpiperazin-1-yl)ethanol
SMILESC=CCN1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2,12H,1,3-9H2
InChIKeyOIIANXCKEGUVFK-UHFFFAOYSA-N
XLogP-0.22
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
1-iodo-4-prop-2-enylpiperazine
CID 129141031
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
1-prop-2-enyl(213C)azinane
CID 173137320
(1-prop-2-enylpiperidin-4-yl)methanol
CID 60768656
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-(4-methanidylpiperazin-1-yl)ethanol
CID 20723281
2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid
CID 2050807
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
CID 167741748
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-prop-2-enylpiperazin-1-yl)ethanol (CID 4739633) is 2-(4-prop-2-enylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-prop-2-enylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-prop-2-enylpiperazin-1-yl)ethanol is C=CCN1CCN(CCO)CC1.
What is the InChIKey of 2-(4-prop-2-enylpiperazin-1-yl)ethanol?
The InChIKey is OIIANXCKEGUVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2,12H,1,3-9H2.
What are the key properties of 2-(4-prop-2-enylpiperazin-1-yl)ethanol?
2-(4-prop-2-enylpiperazin-1-yl)ethanol has a molecular weight of 170.26 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enylpiperazin-1-yl)ethanol is sourced from PubChem (CID 4739633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).