(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone

C15H20INO — CID 172648482

IUPAC(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone
SMILESCc1ccc(I)c(C(=O)N2CCC(C)(C)CC2)c1
InChIInChI=1S/C15H20INO/c1-11-4-5-13(16)12(10-11)14(18)17-8-6-15(2,3)7-9-17/h4-5,10H,6-9H2,1-3H3
InChIKeyLUEZYKQPZZUPRM-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.86
Rot. Bonds1

About (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone

(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone (PubChem CID 172648482) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone
PubChem CID172648482
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC Name(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone
SMILESCc1ccc(I)c(C(=O)N2CCC(C)(C)CC2)c1
InChIInChI=1S/C15H20INO/c1-11-4-5-13(16)12(10-11)14(18)17-8-6-15(2,3)7-9-17/h4-5,10H,6-9H2,1-3H3
InChIKeyLUEZYKQPZZUPRM-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103709418
[4-(1-aminoethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone
CID 119518219
(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103639314
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-iodo-5-methylphenyl)methanone
CID 120657326
aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
CID 130874927
(2-iodo-4-methylphenyl)-piperidin-1-ylmethanone
CID 100523046
(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 172648533
(5-chloro-2-iodophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107526516
1-(2-bromo-5-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 81110057
2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-methylbenzoic acid
CID 62931539
(2-bromo-5-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 81109492

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone (CID 172648482) is (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone is Cc1ccc(I)c(C(=O)N2CCC(C)(C)CC2)c1.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone?
The InChIKey is LUEZYKQPZZUPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-11-4-5-13(16)12(10-11)14(18)17-8-6-15(2,3)7-9-17/h4-5,10H,6-9H2,1-3H3.
What are the key properties of (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone?
(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone has a molecular weight of 357.24 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone is sourced from PubChem (CID 172648482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).