(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone

C14H18INO2 — CID 104628294

IUPAC(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H18INO2/c1-9-4-3-5-10(2)16(9)14(18)11-6-7-12(15)13(17)8-11/h6-10,17H,3-5H2,1-2H3
InChIKeyUAPROLBVFJTROV-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.40
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone

(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone (PubChem CID 104628294) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
PubChem CID104628294
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H18INO2/c1-9-4-3-5-10(2)16(9)14(18)11-6-7-12(15)13(17)8-11/h6-10,17H,3-5H2,1-2H3
InChIKeyUAPROLBVFJTROV-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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)-(2-methylpyrrolidin-1-yl)methanone
CID 104629244
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 103715014
(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104629925
(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone
CID 104627285
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 113329918
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107036490
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
CID 55226480
(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 976266
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone (CID 104628294) is (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone is CC1CCCC(C)N1C(=O)c1ccc(I)c(O)c1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone?
The InChIKey is UAPROLBVFJTROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9-4-3-5-10(2)16(9)14(18)11-6-7-12(15)13(17)8-11/h6-10,17H,3-5H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone?
(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone has a molecular weight of 359.21 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone is sourced from PubChem (CID 104628294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).