2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid

C11H19NO3 — CID 107227868

IUPAC2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid
SMILESC=C(CN1CCCC(CCO)C1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-9(11(14)15)7-12-5-2-3-10(8-12)4-6-13/h10,13H,1-8H2,(H,14,15)
InChIKeyXYEFEQVIMMISAM-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.72
Rot. Bonds5

About 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid

2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid (PubChem CID 107227868) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid
PubChem CID107227868
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid
SMILESC=C(CN1CCCC(CCO)C1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-9(11(14)15)7-12-5-2-3-10(8-12)4-6-13/h10,13H,1-8H2,(H,14,15)
InChIKeyXYEFEQVIMMISAM-UHFFFAOYSA-N
XLogP0.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid
CID 112626149
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 62356988
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 55064854
2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814
5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
CID 107227845
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 62356308
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
N-(tert-butylcarbamoyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62357321
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 62356455
1-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107227995
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile
CID 107228070

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid (CID 107227868) is 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid is C=C(CN1CCCC(CCO)C1)C(=O)O.
What is the InChIKey of 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid?
The InChIKey is XYEFEQVIMMISAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(11(14)15)7-12-5-2-3-10(8-12)4-6-13/h10,13H,1-8H2,(H,14,15).
What are the key properties of 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid?
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid is sourced from PubChem (CID 107227868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).