[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone

C14H22N2OS — CID 114960404

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C)C(CN)C2)s1
InChIInChI=1S/C14H22N2OS/c1-3-12-4-5-13(18-12)14(17)16-7-6-10(2)11(8-15)9-16/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyLIQSJRCIMMXLFS-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.37
Rot. Bonds3

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone (PubChem CID 114960404) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
PubChem CID114960404
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(C)C(CN)C2)s1
InChIInChI=1S/C14H22N2OS/c1-3-12-4-5-13(18-12)14(17)16-7-6-10(2)11(8-15)9-16/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyLIQSJRCIMMXLFS-UHFFFAOYSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
(5-ethylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51942650
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone (CID 114960404) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)N2CCC(C)C(CN)C2)s1.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone?
The InChIKey is LIQSJRCIMMXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-12-4-5-13(18-12)14(17)16-7-6-10(2)11(8-15)9-16/h4-5,10-11H,3,6-9,15H2,1-2H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone has a molecular weight of 266.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 114960404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).