2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone

C14H17Cl2NO3 — CID 80706649

IUPAC2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO3/c1-14(19)4-6-17(7-5-14)13(18)9-20-12-8-10(15)2-3-11(12)16/h2-3,8,19H,4-7,9H2,1H3
InChIKeyKAVGPLQKMJGJIM-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.75
Rot. Bonds3

About 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone

2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 80706649) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID80706649
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO3/c1-14(19)4-6-17(7-5-14)13(18)9-20-12-8-10(15)2-3-11(12)16/h2-3,8,19H,4-7,9H2,1H3
InChIKeyKAVGPLQKMJGJIM-UHFFFAOYSA-N
XLogP2.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
2-(2-bromo-4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727030
2-(4-chloro-3-methylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706987
2-(4-chloro-2-methylphenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726941
2-(2,5-dichlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43394139
1-[2-(2,5-dichlorophenoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99165656
2-(2,5-dichlorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119542676
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone;hydrochloride
CID 119621657
1'-[2-(2,5-dichlorophenoxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757863
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
CID 55466170
2-(4-chloro-2-methylphenoxy)-1-(3,4-dihydroxy-4-methylpiperidin-1-yl)ethanone
CID 156607082
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726935

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 80706649) is 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1(O)CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is KAVGPLQKMJGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-14(19)4-6-17(7-5-14)13(18)9-20-12-8-10(15)2-3-11(12)16/h2-3,8,19H,4-7,9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 318.20 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 80706649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).