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

C12H25N3O2 — CID 142596851

IUPAC2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol
SMILESC=C(CN1CCN(CCOCCO)CC1)NC
InChIInChI=1S/C12H25N3O2/c1-12(13-2)11-15-5-3-14(4-6-15)7-9-17-10-8-16/h13,16H,1,3-11H2,2H3
InChIKeyRERKMCRORHQVJJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.65
Rot. Bonds8

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

2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 142596851) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID142596851
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol
SMILESC=C(CN1CCN(CCOCCO)CC1)NC
InChIInChI=1S/C12H25N3O2/c1-12(13-2)11-15-5-3-14(4-6-15)7-9-17-10-8-16/h13,16H,1,3-11H2,2H3
InChIKeyRERKMCRORHQVJJ-UHFFFAOYSA-N
XLogP-0.65
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)prop-1-en-2-amine
CID 90245659
3-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylprop-1-en-2-amine
CID 135165133
2-[2-[2-(Prop-1-en-2-ylamino)ethoxy]ethoxy]ethanol
CID 153623759
1-(2-Methoxyethyl)-3-methylidenepiperazine
CID 157555789
2-[4-[2-(Methylamino)prop-2-enyl]piperazin-1-yl]ethanol
CID 175620685
ethane;N-methyl-2-morpholin-4-ylprop-2-en-1-amine
CID 177002503
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-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol
CID 145331028
N-methyl-2-morpholin-4-ylprop-2-en-1-amine
CID 148834148

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol (CID 142596851) is 2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol is C=C(CN1CCN(CCOCCO)CC1)NC.
What is the InChIKey of 2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is RERKMCRORHQVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(13-2)11-15-5-3-14(4-6-15)7-9-17-10-8-16/h13,16H,1,3-11H2,2H3.
What are the key properties of 2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 243.35 g/mol, XLogP of -0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 142596851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).