ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride

C15H20Cl3NO2 — CID 71727766

IUPACethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride
SMILESCCOC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H19Cl2NO2.ClH/c1-2-20-15(19)14(10-5-7-18-8-6-10)11-3-4-12(16)13(17)9-11;/h3-4,9-10,14,18H,2,5-8H2,1H3;1H
InChIKeyPSMAIUZEWLCYGR-UHFFFAOYSA-N
MW352.69 g/mol
LogP4.06
Rot. Bonds4

About ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride

ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride (PubChem CID 71727766) has the molecular formula C15H20Cl3NO2 and a molecular weight of 352.69 g/mol. Its IUPAC name is ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride
PubChem CID71727766
Molecular FormulaC15H20Cl3NO2
Molecular Weight352.69 g/mol
Exact Mass351.06
IUPAC Nameethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride
SMILESCCOC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H19Cl2NO2.ClH/c1-2-20-15(19)14(10-5-7-18-8-6-10)11-3-4-12(16)13(17)9-11;/h3-4,9-10,14,18H,2,5-8H2,1H3;1H
InChIKeyPSMAIUZEWLCYGR-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.69
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride?
The IUPAC name of ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride (CID 71727766) is ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride?
The canonical SMILES for ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride is CCOC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride?
The InChIKey is PSMAIUZEWLCYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2.ClH/c1-2-20-15(19)14(10-5-7-18-8-6-10)11-3-4-12(16)13(17)9-11;/h3-4,9-10,14,18H,2,5-8H2,1H3;1H.
What are the key properties of ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride?
ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride has a molecular weight of 352.69 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dichlorophenyl)-2-piperidin-4-ylacetate;hydrochloride is sourced from PubChem (CID 71727766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).