1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine

C12H19BrN2S — CID 115305374

IUPAC1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2sccc2Br)CC1
InChIInChI=1S/C12H19BrN2S/c1-12(14-2)4-6-15(7-5-12)9-11-10(13)3-8-16-11/h3,8,14H,4-7,9H2,1-2H3
InChIKeyFJQGGUKNZPMIBY-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.08
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115305374) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115305374
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2sccc2Br)CC1
InChIInChI=1S/C12H19BrN2S/c1-12(14-2)4-6-15(7-5-12)9-11-10(13)3-8-16-11/h3,8,14H,4-7,9H2,1-2H3
InChIKeyFJQGGUKNZPMIBY-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine (CID 115305374) is 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2sccc2Br)CC1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is FJQGGUKNZPMIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-12(14-2)4-6-15(7-5-12)9-11-10(13)3-8-16-11/h3,8,14H,4-7,9H2,1-2H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 303.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115305374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).