ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate

C17H23NO2 — CID 10612321

IUPACethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate
SMILESCCOC(=O)C=C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-2-20-17(19)14-16-9-12-18(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3
InChIKeyOJKCQVNGLBPLNE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.81
Rot. Bonds5

About ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate

ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate (PubChem CID 10612321) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate
PubChem CID10612321
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate
SMILESCCOC(=O)C=C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-2-20-17(19)14-16-9-12-18(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3
InChIKeyOJKCQVNGLBPLNE-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate?
The IUPAC name of ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate (CID 10612321) is ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate.
What is the SMILES notation for ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate?
The canonical SMILES for ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate is CCOC(=O)C=C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate?
The InChIKey is OJKCQVNGLBPLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-20-17(19)14-16-9-12-18(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3.
What are the key properties of ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate?
ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate has a molecular weight of 273.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-phenylethyl)piperidin-4-ylidene]acetate is sourced from PubChem (CID 10612321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).