1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride

C11H18BrClN2S — CID 119918697

IUPAC1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2sccc2Br)C1.Cl
InChIInChI=1S/C11H17BrN2S.ClH/c1-13-9-3-2-5-14(7-9)8-11-10(12)4-6-15-11;/h4,6,9,13H,2-3,5,7-8H2,1H3;1H
InChIKeyVEPBUXBPDGVSOO-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.12
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride

1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 119918697) has the molecular formula C11H18BrClN2S and a molecular weight of 325.70 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID119918697
Molecular FormulaC11H18BrClN2S
Molecular Weight325.70 g/mol
Exact Mass324.01
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2sccc2Br)C1.Cl
InChIInChI=1S/C11H17BrN2S.ClH/c1-13-9-3-2-5-14(7-9)8-11-10(12)4-6-15-11;/h4,6,9,13H,2-3,5,7-8H2,1H3;1H
InChIKeyVEPBUXBPDGVSOO-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride 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

1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62546532
(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
CID 102977246
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875
1-[(3-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219166
2-[[1-[(3-bromothiophen-2-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813867
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-[(3-bromothiophen-2-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305374
2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391
1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine
CID 63973135
N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
CID 120838062
N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
CID 119919890

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride (CID 119918697) is 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(Cc2sccc2Br)C1.Cl.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is VEPBUXBPDGVSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S.ClH/c1-13-9-3-2-5-14(7-9)8-11-10(12)4-6-15-11;/h4,6,9,13H,2-3,5,7-8H2,1H3;1H.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 325.70 g/mol, XLogP of 3.12, 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-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119918697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).