ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate

C15H20ClNO2 — CID 24842506

IUPACethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15(18)14(17-10-4-3-5-11-17)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyOBFSISDUXZWNGB-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.43
Rot. Bonds4

About ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate

ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate (PubChem CID 24842506) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate
PubChem CID24842506
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15(18)14(17-10-4-3-5-11-17)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyOBFSISDUXZWNGB-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate (CID 24842506) is ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate is CCOC(=O)C(c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate?
The InChIKey is OBFSISDUXZWNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-15(18)14(17-10-4-3-5-11-17)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate?
ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate has a molecular weight of 281.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-piperidin-1-ylacetate is sourced from PubChem (CID 24842506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).