1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride

C13H20BrClN2OS — CID 119437719

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-9(15)11-4-2-3-7-16(11)13(17)8-10-5-6-12(14)18-10;/h5-6,9,11H,2-4,7-8,15H2,1H3;1H
InChIKeySGHVODBCFLYOMO-UHFFFAOYSA-N
MW367.74 g/mol
LogP3.20
Rot. Bonds3

About 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride (PubChem CID 119437719) has the molecular formula C13H20BrClN2OS and a molecular weight of 367.74 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride
PubChem CID119437719
Molecular FormulaC13H20BrClN2OS
Molecular Weight367.74 g/mol
Exact Mass366.02
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-9(15)11-4-2-3-7-16(11)13(17)8-10-5-6-12(14)18-10;/h5-6,9,11H,2-4,7-8,15H2,1H3;1H
InChIKeySGHVODBCFLYOMO-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one;hydrochloride
CID 119437402
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 55169920
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 119634670
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119435553
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one
CID 119437750
1-[2-(1-aminoethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119435747
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119434426
3-amino-N-[[1-[2-(5-bromothiophen-2-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120579347
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-bromo-4-nitrophenyl)ethanone
CID 119435716
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone
CID 122149198
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 63255250

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride (CID 119437719) is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride is CC(N)C1CCCCN1C(=O)Cc1ccc(Br)s1.Cl.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride?
The InChIKey is SGHVODBCFLYOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS.ClH/c1-9(15)11-4-2-3-7-16(11)13(17)8-10-5-6-12(14)18-10;/h5-6,9,11H,2-4,7-8,15H2,1H3;1H.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride?
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride has a molecular weight of 367.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 119437719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).