1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine

C13H19BrN2 — CID 65499870

IUPAC1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine
SMILESCc1cc(Br)cc(C)c1N1CCCC(N)C1
InChIInChI=1S/C13H19BrN2/c1-9-6-11(14)7-10(2)13(9)16-5-3-4-12(15)8-16/h6-7,12H,3-5,8,15H2,1-2H3
InChIKeyYHSUTTVOZOMBGW-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.99
Rot. Bonds1

About 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine

1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine (PubChem CID 65499870) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine
PubChem CID65499870
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine
SMILESCc1cc(Br)cc(C)c1N1CCCC(N)C1
InChIInChI=1S/C13H19BrN2/c1-9-6-11(14)7-10(2)13(9)16-5-3-4-12(15)8-16/h6-7,12H,3-5,8,15H2,1-2H3
InChIKeyYHSUTTVOZOMBGW-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine (CID 65499870) is 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine is Cc1cc(Br)cc(C)c1N1CCCC(N)C1.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine?
The InChIKey is YHSUTTVOZOMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-6-11(14)7-10(2)13(9)16-5-3-4-12(15)8-16/h6-7,12H,3-5,8,15H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine?
1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine has a molecular weight of 283.21 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine is sourced from PubChem (CID 65499870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).