[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone

C12H17BrN2OS — CID 55169920

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-8(14)9-4-2-3-7-15(9)12(16)10-5-6-11(13)17-10/h5-6,8-9H,2-4,7,14H2,1H3
InChIKeyXBMRYFFNBRMKBK-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.85
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone (PubChem CID 55169920) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
PubChem CID55169920
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-8(14)9-4-2-3-7-15(9)12(16)10-5-6-11(13)17-10/h5-6,8-9H,2-4,7,14H2,1H3
InChIKeyXBMRYFFNBRMKBK-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone 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-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride
CID 119437719
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-bromo-5-methylthiophen-3-yl)methanone
CID 125134854
[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103805490
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one;hydrochloride
CID 119437402
[2-(1-aminoethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80745111
(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421504
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-bromothiophen-2-yl)methanone
CID 60630423
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 63255328
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 119434857

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone (CID 55169920) is [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone is CC(N)C1CCCCN1C(=O)c1ccc(Br)s1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone?
The InChIKey is XBMRYFFNBRMKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-8(14)9-4-2-3-7-15(9)12(16)10-5-6-11(13)17-10/h5-6,8-9H,2-4,7,14H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone has a molecular weight of 317.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone is sourced from PubChem (CID 55169920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).