(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone

C14H18INO2 — CID 104629925

IUPAC(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(I)c(O)c2)CC1C
InChIInChI=1S/C14H18INO2/c1-9-5-6-16(8-10(9)2)14(18)11-3-4-12(15)13(17)7-11/h3-4,7,9-10,17H,5-6,8H2,1-2H3
InChIKeyGMEDFLVTIHJZLM-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.11
Rot. Bonds1

About (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone

(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone (PubChem CID 104629925) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
PubChem CID104629925
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(I)c(O)c2)CC1C
InChIInChI=1S/C14H18INO2/c1-9-5-6-16(8-10(9)2)14(18)11-3-4-12(15)13(17)7-11/h3-4,7,9-10,17H,5-6,8H2,1-2H3
InChIKeyGMEDFLVTIHJZLM-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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

(3-hydroxy-4-iodophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 104629264
(4-tert-butylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628553
(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727567
(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone
CID 104627285
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 104629244
(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978661
(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628294
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672067
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 113434754
(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone?
The IUPAC name of (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone (CID 104629925) is (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone.
What is the SMILES notation for (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone?
The canonical SMILES for (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone is CC1CCN(C(=O)c2ccc(I)c(O)c2)CC1C.
What is the InChIKey of (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone?
The InChIKey is GMEDFLVTIHJZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9-5-6-16(8-10(9)2)14(18)11-3-4-12(15)13(17)7-11/h3-4,7,9-10,17H,5-6,8H2,1-2H3.
What are the key properties of (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone?
(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone has a molecular weight of 359.21 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone is sourced from PubChem (CID 104629925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).