2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate

C17H23NO3 — CID 155075707

IUPAC2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate
SMILESCC(C)(OC(=O)/C=C/c1ccccc1O)C1CCNCC1
InChIInChI=1S/C17H23NO3/c1-17(2,14-9-11-18-12-10-14)21-16(20)8-7-13-5-3-4-6-15(13)19/h3-8,14,18-19H,9-12H2,1-2H3/b8-7+
InChIKeyOITBQJFGXVKGDI-BQYQJAHWSA-N
MW289.37 g/mol
LogP2.73
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate

2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate (PubChem CID 155075707) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate
PubChem CID155075707
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate
SMILESCC(C)(OC(=O)/C=C/c1ccccc1O)C1CCNCC1
InChIInChI=1S/C17H23NO3/c1-17(2,14-9-11-18-12-10-14)21-16(20)8-7-13-5-3-4-6-15(13)19/h3-8,14,18-19H,9-12H2,1-2H3/b8-7+
InChIKeyOITBQJFGXVKGDI-BQYQJAHWSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate (CID 155075707) is 2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate is CC(C)(OC(=O)/C=C/c1ccccc1O)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate?
The InChIKey is OITBQJFGXVKGDI-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,14-9-11-18-12-10-14)21-16(20)8-7-13-5-3-4-6-15(13)19/h3-8,14,18-19H,9-12H2,1-2H3/b8-7+.
What are the key properties of 2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate?
2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate has a molecular weight of 289.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl (E)-3-(2-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 155075707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).