1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone

C13H19NOS — CID 3157933

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CCCC(C)N1C(=O)Cc1cccs1
InChIInChI=1S/C13H19NOS/c1-10-5-3-6-11(2)14(10)13(15)9-12-7-4-8-16-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyNZVAAYAUGDPYKU-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds2

About 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone

1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 3157933) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID3157933
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CCCC(C)N1C(=O)Cc1cccs1
InChIInChI=1S/C13H19NOS/c1-10-5-3-6-11(2)14(10)13(15)9-12-7-4-8-16-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyNZVAAYAUGDPYKU-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone (CID 3157933) is 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone is CC1CCCC(C)N1C(=O)Cc1cccs1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is NZVAAYAUGDPYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-5-3-6-11(2)14(10)13(15)9-12-7-4-8-16-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 237.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 3157933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).