2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol

C13H26N2O2 — CID 2845874

IUPAC2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol
SMILESCC=C(C)CN1CCN(CCOCCO)CC1
InChIInChI=1S/C13H26N2O2/c1-3-13(2)12-15-6-4-14(5-7-15)8-10-17-11-9-16/h3,16H,4-12H2,1-2H3
InChIKeyNXGFINPBPPTYPN-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.58
Rot. Bonds7

About 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol

2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol (PubChem CID 2845874) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol
PubChem CID2845874
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol
SMILESCC=C(C)CN1CCN(CCOCCO)CC1
InChIInChI=1S/C13H26N2O2/c1-3-13(2)12-15-6-4-14(5-7-15)8-10-17-11-9-16/h3,16H,4-12H2,1-2H3
InChIKeyNXGFINPBPPTYPN-UHFFFAOYSA-N
XLogP0.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cambridge id 5426433
CID 2059215
Cambridge id 5425790
CID 5863016
2-[2-[4-[(E)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059214
2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059216
2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]ethoxy]ethanol
CID 2059217
2-[4-(2-Methylbut-2-enyl)piperazin-1-yl]ethanol
CID 3567721
[4-(3-Methylbut-2-enyl)morpholin-2-yl]methanol
CID 79834137
[6-Methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 102935448
2-[2-Methylprop-2-enyl(2-morpholin-4-ylethyl)amino]ethanol
CID 111753080
1-[Methyl(3-methylbut-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916402
2-[3-Methylbut-2-enyl(2-morpholin-4-ylethyl)amino]ethanol
CID 112041431
[6,6-Dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 114780014

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol (CID 2845874) is 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol is CC=C(C)CN1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol?
The InChIKey is NXGFINPBPPTYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-13(2)12-15-6-4-14(5-7-15)8-10-17-11-9-16/h3,16H,4-12H2,1-2H3.
What are the key properties of 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol has a molecular weight of 242.36 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 2845874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).