2-(4-but-2-ynylpiperazin-1-yl)ethanol

C10H18N2O — CID 62310008

IUPAC2-(4-but-2-ynylpiperazin-1-yl)ethanol
SMILESCC#CCN1CCN(CCO)CC1
InChIInChI=1S/C10H18N2O/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h13H,4-10H2,1H3
InChIKeyCMDGPIAKYSXWEC-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.38
Rot. Bonds3

About 2-(4-but-2-ynylpiperazin-1-yl)ethanol

2-(4-but-2-ynylpiperazin-1-yl)ethanol (PubChem CID 62310008) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(4-but-2-ynylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-but-2-ynylpiperazin-1-yl)ethanol
PubChem CID62310008
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(4-but-2-ynylpiperazin-1-yl)ethanol
SMILESCC#CCN1CCN(CCO)CC1
InChIInChI=1S/C10H18N2O/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h13H,4-10H2,1H3
InChIKeyCMDGPIAKYSXWEC-UHFFFAOYSA-N
XLogP-0.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', '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
1-but-2-ynyl-4-(2-methylpropyl)piperazine
CID 167156529
2-[4-[3-(2,6,6-trimethyloxan-2-yl)prop-2-ynyl]piperazin-1-yl]ethanol
CID 16762046
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
1-(4-but-2-ynylpiperazin-1-yl)sulfonyl-4-methylpiperazine
CID 71999965
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)
CID 161496003
2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine
CID 159950827
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
2-(4-but-2-ynylpiperazin-1-yl)propanenitrile
CID 63339201
2-(4-methanidylpiperazin-1-yl)ethanol
CID 20723281

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-2-ynylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-but-2-ynylpiperazin-1-yl)ethanol (CID 62310008) is 2-(4-but-2-ynylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-but-2-ynylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-but-2-ynylpiperazin-1-yl)ethanol is CC#CCN1CCN(CCO)CC1.
What is the InChIKey of 2-(4-but-2-ynylpiperazin-1-yl)ethanol?
The InChIKey is CMDGPIAKYSXWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h13H,4-10H2,1H3.
What are the key properties of 2-(4-but-2-ynylpiperazin-1-yl)ethanol?
2-(4-but-2-ynylpiperazin-1-yl)ethanol has a molecular weight of 182.27 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-2-ynylpiperazin-1-yl)ethanol is sourced from PubChem (CID 62310008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).