1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine

C13H18BrIN2 — CID 114262216

IUPAC1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(I)c(Br)c2)CC1C
InChIInChI=1S/C13H18BrIN2/c1-9-8-17(6-5-13(9)16-2)10-3-4-12(15)11(14)7-10/h3-4,7,9,13,16H,5-6,8H2,1-2H3
InChIKeyFQCUIXGNSBLZII-UHFFFAOYSA-N
MW409.11 g/mol
LogP3.49
Rot. Bonds2

About 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine

1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine (PubChem CID 114262216) has the molecular formula C13H18BrIN2 and a molecular weight of 409.11 g/mol. Its IUPAC name is 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine
PubChem CID114262216
Molecular FormulaC13H18BrIN2
Molecular Weight409.11 g/mol
Exact Mass407.97
IUPAC Name1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(I)c(Br)c2)CC1C
InChIInChI=1S/C13H18BrIN2/c1-9-8-17(6-5-13(9)16-2)10-3-4-12(15)11(14)7-10/h3-4,7,9,13,16H,5-6,8H2,1-2H3
InChIKeyFQCUIXGNSBLZII-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.11
LogP ≤ 53.49
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

(3S)-1-(3-bromo-4-iodophenyl)pyrrolidin-3-amine;hydrochloride
CID 170357511
1-[4-(dimethylamino)phenyl]-N,3-dimethylpiperidin-4-amine
CID 54975690
1-(3-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975437
[1-(3-bromo-4-iodophenyl)pyrrolidin-3-yl]carbamic acid
CID 170357486
1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 103414479
1-(3-butan-2-yloxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 62329601
1-(3-bromo-4-iodophenyl)-3-propylpiperazine
CID 114262416
1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
CID 63334285
1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975731
1-(4-bromophenyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975299
1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 107636305
N,3-dimethyl-1-(1-methylpyrazol-3-yl)piperidin-4-amine
CID 79779493

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine (CID 114262216) is 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine is CNC1CCN(c2ccc(I)c(Br)c2)CC1C.
What is the InChIKey of 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine?
The InChIKey is FQCUIXGNSBLZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrIN2/c1-9-8-17(6-5-13(9)16-2)10-3-4-12(15)11(14)7-10/h3-4,7,9,13,16H,5-6,8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine?
1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine has a molecular weight of 409.11 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114262216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).