(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C13H15Cl2NO2 — CID 113344075

IUPAC(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H15Cl2NO2/c1-13(18)5-2-6-16(8-13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyMBQABSCXSDUHSF-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.98
Rot. Bonds1

About (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 113344075) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID113344075
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H15Cl2NO2/c1-13(18)5-2-6-16(8-13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyMBQABSCXSDUHSF-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404871
(5-chloro-2-iodophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107526516
(2-fluoro-5-sulfanylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107036045
2-(2,5-dichlorophenyl)sulfanyl-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115875001
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727239
(1-chloroisoquinolin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 106766427
(2-amino-3-chloro-5-nitrophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107200916
[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874970
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344059
(2-fluoro-4-nitrophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874836
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 113344075) is (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is MBQABSCXSDUHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-13(18)5-2-6-16(8-13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7,18H,2,5-6,8H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 288.17 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 113344075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).