[2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone

C12H16Br2N2OS — CID 80537943

IUPAC[2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
SMILESCC1CCCC(CN)N1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H16Br2N2OS/c1-7-3-2-4-8(6-15)16(7)12(17)10-5-9(13)11(14)18-10/h5,7-8H,2-4,6,15H2,1H3
InChIKeyGPMGYWCVTZATMB-UHFFFAOYSA-N
MW396.15 g/mol
LogP3.62
Rot. Bonds2

About [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone

[2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone (PubChem CID 80537943) has the molecular formula C12H16Br2N2OS and a molecular weight of 396.15 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
PubChem CID80537943
Molecular FormulaC12H16Br2N2OS
Molecular Weight396.15 g/mol
Exact Mass393.94
IUPAC Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
SMILESCC1CCCC(CN)N1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H16Br2N2OS/c1-7-3-2-4-8(6-15)16(7)12(17)10-5-9(13)11(14)18-10/h5,7-8H,2-4,6,15H2,1H3
InChIKeyGPMGYWCVTZATMB-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.15
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone (CID 80537943) is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone is CC1CCCC(CN)N1C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone?
The InChIKey is GPMGYWCVTZATMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2OS/c1-7-3-2-4-8(6-15)16(7)12(17)10-5-9(13)11(14)18-10/h5,7-8H,2-4,6,15H2,1H3.
What are the key properties of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone?
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone has a molecular weight of 396.15 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone is sourced from PubChem (CID 80537943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).