(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C13H15FINO2 — CID 113344059

IUPAC(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C13H15FINO2/c1-13(18)5-2-6-16(8-13)12(17)10-4-3-9(14)7-11(10)15/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyMJYMHSDFNFHOAM-UHFFFAOYSA-N
MW363.17 g/mol
LogP2.42
Rot. Bonds1

About (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 113344059) has the molecular formula C13H15FINO2 and a molecular weight of 363.17 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID113344059
Molecular FormulaC13H15FINO2
Molecular Weight363.17 g/mol
Exact Mass363.01
IUPAC Name(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C13H15FINO2/c1-13(18)5-2-6-16(8-13)12(17)10-4-3-9(14)7-11(10)15/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyMJYMHSDFNFHOAM-UHFFFAOYSA-N
XLogP2.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820490
(2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103739958
(3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107121477
(2-fluoro-5-sulfanylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107036045
(6-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874928
(2-fluoro-4-nitrophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874836
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344075
(4-fluoro-2-iodophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87030189
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103878843
[2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875311

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 113344059) is (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)c2ccc(F)cc2I)C1.
What is the InChIKey of (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is MJYMHSDFNFHOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FINO2/c1-13(18)5-2-6-16(8-13)12(17)10-4-3-9(14)7-11(10)15/h3-4,7,18H,2,5-6,8H2,1H3.
What are the key properties of (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 363.17 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 113344059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).