ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate

C16H21Cl2NO2 — CID 102413327

IUPACethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(Cc1c(Cl)cccc1Cl)N1CCCCC1
InChIInChI=1S/C16H21Cl2NO2/c1-2-21-16(20)15(19-9-4-3-5-10-19)11-12-13(17)7-6-8-14(12)18/h6-8,15H,2-5,9-11H2,1H3
InChIKeyQFWMKSRYMKADBH-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.95
Rot. Bonds5

About ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate

ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate (PubChem CID 102413327) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate
PubChem CID102413327
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Nameethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(Cc1c(Cl)cccc1Cl)N1CCCCC1
InChIInChI=1S/C16H21Cl2NO2/c1-2-21-16(20)15(19-9-4-3-5-10-19)11-12-13(17)7-6-8-14(12)18/h6-8,15H,2-5,9-11H2,1H3
InChIKeyQFWMKSRYMKADBH-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate (CID 102413327) is ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate is CCOC(=O)C(Cc1c(Cl)cccc1Cl)N1CCCCC1.
What is the InChIKey of ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate?
The InChIKey is QFWMKSRYMKADBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-2-21-16(20)15(19-9-4-3-5-10-19)11-12-13(17)7-6-8-14(12)18/h6-8,15H,2-5,9-11H2,1H3.
What are the key properties of ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate?
ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate has a molecular weight of 330.25 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-dichlorophenyl)-2-piperidin-1-ylpropanoate is sourced from PubChem (CID 102413327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).