2-(4-chlorophenoxy)-1-piperidin-1-ylethanone

C13H16ClNO2 — CID 742653

IUPAC2-(4-chlorophenoxy)-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H16ClNO2/c14-11-4-6-12(7-5-11)17-10-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2
InChIKeyXQIAIYFPKZGUCG-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.73
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone

2-(4-chlorophenoxy)-1-piperidin-1-ylethanone (PubChem CID 742653) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-piperidin-1-ylethanone
PubChem CID742653
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(4-chlorophenoxy)-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H16ClNO2/c14-11-4-6-12(7-5-11)17-10-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2
InChIKeyXQIAIYFPKZGUCG-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone (CID 742653) is 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone is O=C(COc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone?
The InChIKey is XQIAIYFPKZGUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-4-6-12(7-5-11)17-10-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2.
What are the key properties of 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone?
2-(4-chlorophenoxy)-1-piperidin-1-ylethanone has a molecular weight of 253.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 742653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).