N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine

C11H17BrN2S — CID 43215951

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2S/c1-14-4-2-10(3-5-14)13-7-11-6-9(12)8-15-11/h6,8,10,13H,2-5,7H2,1H3
InChIKeyUYWDAMVNJYVRAR-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.69
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine

N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine (PubChem CID 43215951) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
PubChem CID43215951
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2S/c1-14-4-2-10(3-5-14)13-7-11-6-9(12)8-15-11/h6,8,10,13H,2-5,7H2,1H3
InChIKeyUYWDAMVNJYVRAR-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine (CID 43215951) is N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2cc(Br)cs2)CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is UYWDAMVNJYVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-14-4-2-10(3-5-14)13-7-11-6-9(12)8-15-11/h6,8,10,13H,2-5,7H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 289.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43215951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).