1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine

C14H20Br2N2O — CID 103414479

IUPAC1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2cc(OC)c(Br)cc2Br)CC1C
InChIInChI=1S/C14H20Br2N2O/c1-9-8-18(5-4-12(9)17-2)13-7-14(19-3)11(16)6-10(13)15/h6-7,9,12,17H,4-5,8H2,1-3H3
InChIKeySUSOODUDGHUWCJ-UHFFFAOYSA-N
MW392.14 g/mol
LogP3.65
Rot. Bonds3

About 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine

1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine (PubChem CID 103414479) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
PubChem CID103414479
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC Name1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2cc(OC)c(Br)cc2Br)CC1C
InChIInChI=1S/C14H20Br2N2O/c1-9-8-18(5-4-12(9)17-2)13-7-14(19-3)11(16)6-10(13)15/h6-7,9,12,17H,4-5,8H2,1-3H3
InChIKeySUSOODUDGHUWCJ-UHFFFAOYSA-N
XLogP3.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 103414445
1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine
CID 103414484
1-(3-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975437
1-(3-bromo-4-iodophenyl)-N,3-dimethylpiperidin-4-amine
CID 114262216
1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
CID 103414426
1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975731
1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 107636305
1-(5-bromo-2-methoxyphenyl)-3-methylpiperidin-4-amine
CID 54976599
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylpiperidin-4-amine
CID 107463346
1-(2-bromo-5-methoxy-4-nitrophenyl)-3-methylpiperidine
CID 169490487
8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 103416867
N,3-dimethyl-1-(1-methylpyrazol-3-yl)piperidin-4-amine
CID 79779493

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine (CID 103414479) is 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine is CNC1CCN(c2cc(OC)c(Br)cc2Br)CC1C.
What is the InChIKey of 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine?
The InChIKey is SUSOODUDGHUWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c1-9-8-18(5-4-12(9)17-2)13-7-14(19-3)11(16)6-10(13)15/h6-7,9,12,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine?
1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine has a molecular weight of 392.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 103414479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).