ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride

C10H18ClNO2 — CID 68685152

IUPACethyl 2-piperidin-4-ylidenepropanoate;hydrochloride
SMILESCCOC(=O)C(C)=C1CCNCC1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-3-13-10(12)8(2)9-4-6-11-7-5-9;/h11H,3-7H2,1-2H3;1H
InChIKeyPEZUCJMQJHFFQD-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.67
Rot. Bonds2

About ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride

ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride (PubChem CID 68685152) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-piperidin-4-ylidenepropanoate;hydrochloride
PubChem CID68685152
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Nameethyl 2-piperidin-4-ylidenepropanoate;hydrochloride
SMILESCCOC(=O)C(C)=C1CCNCC1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-3-13-10(12)8(2)9-4-6-11-7-5-9;/h11H,3-7H2,1-2H3;1H
InChIKeyPEZUCJMQJHFFQD-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride?
The IUPAC name of ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride (CID 68685152) is ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride?
The canonical SMILES for ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride is CCOC(=O)C(C)=C1CCNCC1.Cl.
What is the InChIKey of ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride?
The InChIKey is PEZUCJMQJHFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-3-13-10(12)8(2)9-4-6-11-7-5-9;/h11H,3-7H2,1-2H3;1H.
What are the key properties of ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride?
ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-4-ylidenepropanoate;hydrochloride is sourced from PubChem (CID 68685152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).