[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C17H22ClNO3 — CID 3645747

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO3/c1-12-4-3-5-13(2)19(12)16(20)11-22-17(21)10-14-6-8-15(18)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKeySMJLRKKQPDCJMZ-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.22
Rot. Bonds4

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 3645747) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID3645747
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO3/c1-12-4-3-5-13(2)19(12)16(20)11-22-17(21)10-14-6-8-15(18)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKeySMJLRKKQPDCJMZ-UHFFFAOYSA-N
XLogP3.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 3645747) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate is CC1CCCC(C)N1C(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is SMJLRKKQPDCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-12-4-3-5-13(2)19(12)16(20)11-22-17(21)10-14-6-8-15(18)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 323.82 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 3645747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).