2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate

C12H22N2O4 — CID 91582416

IUPAC2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate
SMILESC=C(CC1CNCCN1CCO)C(=O)OCCO
InChIInChI=1S/C12H22N2O4/c1-10(12(17)18-7-6-16)8-11-9-13-2-3-14(11)4-5-15/h11,13,15-16H,1-9H2
InChIKeyKAHVWUAYSIVJCE-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.27
Rot. Bonds7

About 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate

2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate (PubChem CID 91582416) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate
PubChem CID91582416
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate
SMILESC=C(CC1CNCCN1CCO)C(=O)OCCO
InChIInChI=1S/C12H22N2O4/c1-10(12(17)18-7-6-16)8-11-9-13-2-3-14(11)4-5-15/h11,13,15-16H,1-9H2
InChIKeyKAHVWUAYSIVJCE-UHFFFAOYSA-N
XLogP-1.27
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate (CID 91582416) is 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate is C=C(CC1CNCCN1CCO)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate?
The InChIKey is KAHVWUAYSIVJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-10(12(17)18-7-6-16)8-11-9-13-2-3-14(11)4-5-15/h11,13,15-16H,1-9H2.
What are the key properties of 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate?
2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate has a molecular weight of 258.32 g/mol, XLogP of -1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate is sourced from PubChem (CID 91582416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).