2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone

C14H18ClNO2 — CID 883777

IUPAC2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO2/c1-11-6-8-16(9-7-11)14(17)10-18-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3
InChIKeyAEDGMHUBFHSNLF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.98
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone

2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 883777) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID883777
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO2/c1-11-6-8-16(9-7-11)14(17)10-18-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3
InChIKeyAEDGMHUBFHSNLF-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 883777) is 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is AEDGMHUBFHSNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-11-6-8-16(9-7-11)14(17)10-18-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 883777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).