ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate

C11H19NO3 — CID 15315646

IUPACethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1C(O)CCCN1C(=O)OCC
InChIInChI=1S/C11H19NO3/c1-3-6-9-10(13)7-5-8-12(9)11(14)15-4-2/h3,9-10,13H,1,4-8H2,2H3
InChIKeyXNYAIQBKWIQRST-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.54
Rot. Bonds3

About ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate

ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate (PubChem CID 15315646) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
PubChem CID15315646
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1C(O)CCCN1C(=O)OCC
InChIInChI=1S/C11H19NO3/c1-3-6-9-10(13)7-5-8-12(9)11(14)15-4-2/h3,9-10,13H,1,4-8H2,2H3
InChIKeyXNYAIQBKWIQRST-UHFFFAOYSA-N
XLogP1.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,3R)-2-ethenyl-3-hydroxypiperidin-1-yl]ethanone
CID 15415520
tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 45101555
prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate
CID 138983416
tert-butyl (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67092784
Tert-butyl 2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67093148
tert-butyl (2R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67093149
tert-butyl (6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67093150
Tert-butyl 4-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 141008423
(2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid
CID 141291209
Ethyl 4-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 152005738
tert-butyl (2R,3S)-3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 162352191
tert-butyl (2S)-2-(hydroxymethyl)-4-methylidenepiperidine-1-carboxylate
CID 177916281

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate (CID 15315646) is ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate is C=CCC1C(O)CCCN1C(=O)OCC.
What is the InChIKey of ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is XNYAIQBKWIQRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-6-9-10(13)7-5-8-12(9)11(14)15-4-2/h3,9-10,13H,1,4-8H2,2H3.
What are the key properties of ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate?
ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 15315646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).