1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine

C12H19BrN2S — CID 120774960

IUPAC1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2csc(Br)c2)CCC1N
InChIInChI=1S/C12H19BrN2S/c1-12(2)8-15(4-3-10(12)14)6-9-5-11(13)16-7-9/h5,7,10H,3-4,6,8,14H2,1-2H3
InChIKeyBORUEQQGODZZRA-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.07
Rot. Bonds2

About 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120774960) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120774960
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2csc(Br)c2)CCC1N
InChIInChI=1S/C12H19BrN2S/c1-12(2)8-15(4-3-10(12)14)6-9-5-11(13)16-7-9/h5,7,10H,3-4,6,8,14H2,1-2H3
InChIKeyBORUEQQGODZZRA-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromothiophen-3-yl)methyl]-3,3-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

Related Compounds

4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine
CID 86993054
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
CID 102977244
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781390
1-[(5-bromothiophen-3-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137235
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781571
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120774960) is 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(Cc2csc(Br)c2)CCC1N.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is BORUEQQGODZZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-12(2)8-15(4-3-10(12)14)6-9-5-11(13)16-7-9/h5,7,10H,3-4,6,8,14H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 303.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120774960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).