2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one

C14H18ClNO3 — CID 43417497

IUPAC2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H18ClNO3/c1-10(19-13-5-3-2-4-12(13)15)14(18)16-8-6-11(17)7-9-16/h2-5,10-11,17H,6-9H2,1H3
InChIKeyYOYKODGRDKQELE-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one

2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 43417497) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID43417497
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H18ClNO3/c1-10(19-13-5-3-2-4-12(13)15)14(18)16-8-6-11(17)7-9-16/h2-5,10-11,17H,6-9H2,1H3
InChIKeyYOYKODGRDKQELE-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114680455
2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111118289
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
2-(4-chloro-2-methylphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391831
2-(2-chloro-4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111562005
2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66262423
2-[4-[2-(2-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134034895
(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)propan-1-one
CID 29203481
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)propan-1-one
CID 55576338
1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide
CID 136532070
1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 55823679
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 43417497) is 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one is CC(Oc1ccccc1Cl)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is YOYKODGRDKQELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10(19-13-5-3-2-4-12(13)15)14(18)16-8-6-11(17)7-9-16/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 283.75 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 43417497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).