(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone

C14H18INO2 — CID 103522096

IUPAC(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
SMILESCC1CCN(C(=O)c2cc(I)ccc2O)C(C)C1
InChIInChI=1S/C14H18INO2/c1-9-5-6-16(10(2)7-9)14(18)12-8-11(15)3-4-13(12)17/h3-4,8-10,17H,5-7H2,1-2H3
InChIKeyGFNZGTXBWAMCJW-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.26
Rot. Bonds1

About (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone

(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone (PubChem CID 103522096) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
PubChem CID103522096
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
SMILESCC1CCN(C(=O)c2cc(I)ccc2O)C(C)C1
InChIInChI=1S/C14H18INO2/c1-9-5-6-16(10(2)7-9)14(18)12-8-11(15)3-4-13(12)17/h3-4,8-10,17H,5-7H2,1-2H3
InChIKeyGFNZGTXBWAMCJW-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone?
The IUPAC name of (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone (CID 103522096) is (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone.
What is the SMILES notation for (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone?
The canonical SMILES for (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone is CC1CCN(C(=O)c2cc(I)ccc2O)C(C)C1.
What is the InChIKey of (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone?
The InChIKey is GFNZGTXBWAMCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9-5-6-16(10(2)7-9)14(18)12-8-11(15)3-4-13(12)17/h3-4,8-10,17H,5-7H2,1-2H3.
What are the key properties of (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone?
(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone has a molecular weight of 359.21 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone is sourced from PubChem (CID 103522096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).