[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone

C11H15BrN2OS — CID 103805374

IUPAC[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
SMILESNCC1CCN(C(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C11H15BrN2OS/c12-10-5-9(7-16-10)11(15)14-3-1-8(6-13)2-4-14/h5,7-8H,1-4,6,13H2
InChIKeyKSKCJMMJSIHYKK-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.32
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone

[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone (PubChem CID 103805374) has the molecular formula C11H15BrN2OS and a molecular weight of 303.22 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
PubChem CID103805374
Molecular FormulaC11H15BrN2OS
Molecular Weight303.22 g/mol
Exact Mass302.01
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
SMILESNCC1CCN(C(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C11H15BrN2OS/c12-10-5-9(7-16-10)11(15)14-3-1-8(6-13)2-4-14/h5,7-8H,1-4,6,13H2
InChIKeyKSKCJMMJSIHYKK-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901
3-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62217831
(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride
CID 119483030
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43647141
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242
2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid
CID 64603552
(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60954681
N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
CID 39698292

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone (CID 103805374) is [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone is NCC1CCN(C(=O)c2csc(Br)c2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone?
The InChIKey is KSKCJMMJSIHYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-10-5-9(7-16-10)11(15)14-3-1-8(6-13)2-4-14/h5,7-8H,1-4,6,13H2.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone has a molecular weight of 303.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone is sourced from PubChem (CID 103805374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).