2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol

C13H28N2O2+2 — CID 2059216

IUPAC2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
SMILESC/C=C(/C)C[NH+]1CC[NH+](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/p+2/b13-3-
InChIKeyNXGFINPBPPTYPN-DXNYSGJVSA-P
MW244.38 g/mol
LogP-2.26
Rot. Bonds7

About 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol

2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol (PubChem CID 2059216) has the molecular formula C13H28N2O2+2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
PubChem CID2059216
Molecular FormulaC13H28N2O2+2
Molecular Weight244.38 g/mol
Exact Mass244.21
IUPAC Name2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
SMILESC/C=C(/C)C[NH+]1CC[NH+](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/p+2/b13-3-
InChIKeyNXGFINPBPPTYPN-DXNYSGJVSA-P
XLogP-2.26
TPSA38.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol with MolForge

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Related Compounds

Cambridge id 5426433
CID 2059215
2-[2-[4-[2-(Methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol
CID 142596851
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]piperazin-1-yl]ethoxy]ethanol
CID 2059217
2-[2-[4-(2-Methylbut-2-enyl)piperazin-1-yl]ethoxy]ethanol
CID 2845874
2-[2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]ethoxy]ethanol
CID 43771477
3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine
CID 103604819
2-[2-(3-Methylbut-2-enylamino)ethoxy]ethanol
CID 103605071
1-(3-Methylbut-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 103605552
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine
CID 106546980
3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)but-2-en-1-amine
CID 120251546

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol (CID 2059216) is 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol is C/C=C(/C)C[NH+]1CC[NH+](CCOCCO)CC1.
What is the InChIKey of 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol?
The InChIKey is NXGFINPBPPTYPN-DXNYSGJVSA-P. 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/p+2/b13-3-.
What are the key properties of 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol?
2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol has a molecular weight of 244.38 g/mol, XLogP of -2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol is sourced from PubChem (CID 2059216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).