2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone

C14H18ClNO3 — CID 43390761

IUPAC2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESCc1ccc(Cl)c(OCC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C14H18ClNO3/c1-10-4-5-12(15)13(7-10)19-9-14(18)16-6-2-3-11(17)8-16/h4-5,7,11,17H,2-3,6,8-9H2,1H3
InChIKeyCMGNCJBJWRAWCG-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.01
Rot. Bonds3

About 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone

2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 43390761) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID43390761
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESCc1ccc(Cl)c(OCC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C14H18ClNO3/c1-10-4-5-12(15)13(7-10)19-9-14(18)16-6-2-3-11(17)8-16/h4-5,7,11,17H,2-3,6,8-9H2,1H3
InChIKeyCMGNCJBJWRAWCG-UHFFFAOYSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 43390761) is 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone is Cc1ccc(Cl)c(OCC(=O)N2CCCC(O)C2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is CMGNCJBJWRAWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-4-5-12(15)13(7-10)19-9-14(18)16-6-2-3-11(17)8-16/h4-5,7,11,17H,2-3,6,8-9H2,1H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 283.75 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43390761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).