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

C14H18INO2 — CID 103524349

IUPAC(2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
SMILESCC1CCC(C)N(C(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C14H18INO2/c1-9-3-4-10(2)16(8-9)14(18)12-7-11(15)5-6-13(12)17/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyVTXKYVSKZVHILS-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.26
Rot. Bonds1

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

(2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone (PubChem CID 103524349) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
PubChem CID103524349
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name(2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
SMILESCC1CCC(C)N(C(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C14H18INO2/c1-9-3-4-10(2)16(8-9)14(18)12-7-11(15)5-6-13(12)17/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyVTXKYVSKZVHILS-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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Related Compounds

(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103522096
(5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 103713351
(2-hydroxy-5-iodophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103522095
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
(2,5-dimethylpiperidin-1-yl)-(2-sulfanylphenyl)methanone
CID 107031487
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-hydroxy-5-iodophenyl)methanone
CID 113254875
[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732190
(2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 103714430
(2-bromo-5-sulfanylphenyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 107031486
(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113254113
2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 103606106
2-(2-hydroxy-5-iodobenzoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 107731468

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone?
The IUPAC name of (2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone (CID 103524349) is (2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone.
What is the SMILES notation for (2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone?
The canonical SMILES for (2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone is CC1CCC(C)N(C(=O)c2cc(I)ccc2O)C1.
What is the InChIKey of (2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone?
The InChIKey is VTXKYVSKZVHILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9-3-4-10(2)16(8-9)14(18)12-7-11(15)5-6-13(12)17/h5-7,9-10,17H,3-4,8H2,1-2H3.
What are the key properties of (2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone?
(2,5-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 (2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone is sourced from PubChem (CID 103524349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).