2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one

C15H20ClNO3 — CID 114680455

IUPAC2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C15H20ClNO3/c1-10-9-17(8-7-13(10)18)15(19)11(2)20-14-6-4-3-5-12(14)16/h3-6,10-11,13,18H,7-9H2,1-2H3
InChIKeyXOENEDCVIQQTMQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one

2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one (PubChem CID 114680455) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
PubChem CID114680455
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C15H20ClNO3/c1-10-9-17(8-7-13(10)18)15(19)11(2)20-14-6-4-3-5-12(14)16/h3-6,10-11,13,18H,7-9H2,1-2H3
InChIKeyXOENEDCVIQQTMQ-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114680505
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide
CID 136532070
2-(2-chlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396508
2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64605835
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
(3S,4S)-1-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953063
(3S,4S)-1-[2-(2-chlorophenoxy)propanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950996
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one (CID 114680455) is 2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one is CC(Oc1ccccc1Cl)C(=O)N1CCC(O)C(C)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is XOENEDCVIQQTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-9-17(8-7-13(10)18)15(19)11(2)20-14-6-4-3-5-12(14)16/h3-6,10-11,13,18H,7-9H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one?
2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 297.78 g/mol, XLogP of 2.34, 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-hydroxy-3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 114680455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).