(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone

C15H20INO — CID 103639314

IUPAC(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C)(C)CC2)c1I
InChIInChI=1S/C15H20INO/c1-11-5-4-6-12(13(11)16)14(18)17-9-7-15(2,3)8-10-17/h4-6H,7-10H2,1-3H3
InChIKeyWUGUKRHDYWGBTH-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.86
Rot. Bonds1

About (4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone

(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone (PubChem CID 103639314) 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-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
PubChem CID103639314
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC Name(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C)(C)CC2)c1I
InChIInChI=1S/C15H20INO/c1-11-5-4-6-12(13(11)16)14(18)17-9-7-15(2,3)8-10-17/h4-6H,7-10H2,1-3H3
InChIKeyWUGUKRHDYWGBTH-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

(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103853932
(2-iodo-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 103615023
(4,4-dimethylazepan-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711269
(2-iodo-3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039262
(4-ethylazepan-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103674673
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone
CID 172648482
(3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 114029419
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
2-iodo-3-(pyrrolidine-1-carbonyl)benzoic acid
CID 169449836
aziridin-1-yl-(3-iodo-2-methylphenyl)methanone
CID 130616512
(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 172648533

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone (CID 103639314) is (4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC(C)(C)CC2)c1I.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone?
The InChIKey is WUGUKRHDYWGBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-11-5-4-6-12(13(11)16)14(18)17-9-7-15(2,3)8-10-17/h4-6H,7-10H2,1-3H3.
What are the key properties of (4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone?
(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-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-3-methylphenyl)methanone is sourced from PubChem (CID 103639314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).