ethyl 2-(1-benzylpiperidin-4-ylidene)acetate

C16H21NO2 — CID 10377866

IUPACethyl 2-(1-benzylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)C=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO2/c1-2-19-16(18)12-14-8-10-17(11-9-14)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3
InChIKeyZKKOLEGJTTYPDH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.77
Rot. Bonds4

About ethyl 2-(1-benzylpiperidin-4-ylidene)acetate

ethyl 2-(1-benzylpiperidin-4-ylidene)acetate (PubChem CID 10377866) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-(1-benzylpiperidin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzylpiperidin-4-ylidene)acetate
PubChem CID10377866
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameethyl 2-(1-benzylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)C=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO2/c1-2-19-16(18)12-14-8-10-17(11-9-14)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3
InChIKeyZKKOLEGJTTYPDH-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.77
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-benzylpiperidin-4-ylidene)acetate?
The IUPAC name of ethyl 2-(1-benzylpiperidin-4-ylidene)acetate (CID 10377866) is ethyl 2-(1-benzylpiperidin-4-ylidene)acetate.
What is the SMILES notation for ethyl 2-(1-benzylpiperidin-4-ylidene)acetate?
The canonical SMILES for ethyl 2-(1-benzylpiperidin-4-ylidene)acetate is CCOC(=O)C=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-(1-benzylpiperidin-4-ylidene)acetate?
The InChIKey is ZKKOLEGJTTYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-19-16(18)12-14-8-10-17(11-9-14)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3.
What are the key properties of ethyl 2-(1-benzylpiperidin-4-ylidene)acetate?
ethyl 2-(1-benzylpiperidin-4-ylidene)acetate has a molecular weight of 259.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzylpiperidin-4-ylidene)acetate is sourced from PubChem (CID 10377866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).