ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate

C16H23NO3 — CID 70124953

IUPACethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(C2CCNCC2O)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-16(19)8-5-12-3-6-13(7-4-12)14-9-10-17-11-15(14)18/h3-4,6-7,14-15,17-18H,2,5,8-11H2,1H3
InChIKeyGKQDPHJYWSBCKJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.62
Rot. Bonds5

About ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate

ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate (PubChem CID 70124953) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate
PubChem CID70124953
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(C2CCNCC2O)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-16(19)8-5-12-3-6-13(7-4-12)14-9-10-17-11-15(14)18/h3-4,6-7,14-15,17-18H,2,5,8-11H2,1H3
InChIKeyGKQDPHJYWSBCKJ-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate?
The IUPAC name of ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate (CID 70124953) is ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate is CCOC(=O)CCc1ccc(C2CCNCC2O)cc1.
What is the InChIKey of ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate?
The InChIKey is GKQDPHJYWSBCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-16(19)8-5-12-3-6-13(7-4-12)14-9-10-17-11-15(14)18/h3-4,6-7,14-15,17-18H,2,5,8-11H2,1H3.
What are the key properties of ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate?
ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate has a molecular weight of 277.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate is sourced from PubChem (CID 70124953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).