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

C14H17BrINO — CID 103713351

IUPAC(5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CCC(C)N(C(=O)c2cc(Br)ccc2I)C1
InChIInChI=1S/C14H17BrINO/c1-9-3-4-10(2)17(8-9)14(18)12-7-11(15)5-6-13(12)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyKMUUKVVDXITIHG-UHFFFAOYSA-N
MW422.10 g/mol
LogP4.31
Rot. Bonds1

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

(5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone (PubChem CID 103713351) has the molecular formula C14H17BrINO and a molecular weight of 422.10 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone
PubChem CID103713351
Molecular FormulaC14H17BrINO
Molecular Weight422.10 g/mol
Exact Mass420.95
IUPAC Name(5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CCC(C)N(C(=O)c2cc(Br)ccc2I)C1
InChIInChI=1S/C14H17BrINO/c1-9-3-4-10(2)17(8-9)14(18)12-7-11(15)5-6-13(12)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyKMUUKVVDXITIHG-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 54.31
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

(2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103524349
(2-bromo-5-sulfanylphenyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 107031486
1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113714
(5-bromo-2-iodophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103604025
(5-bromo-2-iodophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029701
(2,5-dimethylpiperidin-1-yl)-(2-sulfanylphenyl)methanone
CID 107031487
(5-bromo-2-iodophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 103600033
(2,6-dichloro-3-pyridinyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 103714430
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(5-bromo-2-iodophenyl)methanone
CID 113227342
[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
CID 103807808
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-iodophenyl)methanone
CID 103806414
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone (CID 103713351) is (5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone is CC1CCC(C)N(C(=O)c2cc(Br)ccc2I)C1.
What is the InChIKey of (5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is KMUUKVVDXITIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO/c1-9-3-4-10(2)17(8-9)14(18)12-7-11(15)5-6-13(12)16/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of (5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone?
(5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 422.10 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)-(2,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103713351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).