ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate

C13H19NO4 — CID 51072760

IUPACethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCCC(O)C1
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)11-5-7-18-12(11)9-14-6-3-4-10(15)8-14/h5,7,10,15H,2-4,6,8-9H2,1H3
InChIKeyLCYZQRCUACLCDB-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.41
Rot. Bonds4

About ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate

ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate (PubChem CID 51072760) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
PubChem CID51072760
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCCC(O)C1
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)11-5-7-18-12(11)9-14-6-3-4-10(15)8-14/h5,7,10,15H,2-4,6,8-9H2,1H3
InChIKeyLCYZQRCUACLCDB-UHFFFAOYSA-N
XLogP1.41
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate (CID 51072760) is ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1CCCC(O)C1.
What is the InChIKey of ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate?
The InChIKey is LCYZQRCUACLCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-17-13(16)11-5-7-18-12(11)9-14-6-3-4-10(15)8-14/h5,7,10,15H,2-4,6,8-9H2,1H3.
What are the key properties of ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate?
ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 51072760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).