ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride

C16H24ClNO2 — CID 42944937

IUPACethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride
SMILESCCOC(=O)CC(c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-2-19-16(18)12-15(13-6-4-3-5-7-13)14-8-10-17-11-9-14;/h3-7,14-15,17H,2,8-12H2,1H3;1H
InChIKeyJZGRHAQYNAJXMM-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.14
Rot. Bonds5

About ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride

ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride (PubChem CID 42944937) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride
PubChem CID42944937
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Nameethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride
SMILESCCOC(=O)CC(c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-2-19-16(18)12-15(13-6-4-3-5-7-13)14-8-10-17-11-9-14;/h3-7,14-15,17H,2,8-12H2,1H3;1H
InChIKeyJZGRHAQYNAJXMM-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride?
The IUPAC name of ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride (CID 42944937) is ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride?
The canonical SMILES for ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride is CCOC(=O)CC(c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride?
The InChIKey is JZGRHAQYNAJXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-2-19-16(18)12-15(13-6-4-3-5-7-13)14-8-10-17-11-9-14;/h3-7,14-15,17H,2,8-12H2,1H3;1H.
What are the key properties of ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride?
ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-3-piperidin-4-ylpropanoate;hydrochloride is sourced from PubChem (CID 42944937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).