4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine

C15H22F3NOS — CID 167023873

IUPAC4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine
SMILESCOCCc1cc(C(F)(F)F)sc1C1CC(C)NC(C)C1
InChIInChI=1S/C15H22F3NOS/c1-9-6-12(7-10(2)19-9)14-11(4-5-20-3)8-13(21-14)15(16,17)18/h8-10,12,19H,4-7H2,1-3H3
InChIKeyRQZDGBDYDPVDER-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.20
Rot. Bonds4

About 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine

4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine (PubChem CID 167023873) has the molecular formula C15H22F3NOS and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine
PubChem CID167023873
Molecular FormulaC15H22F3NOS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine
SMILESCOCCc1cc(C(F)(F)F)sc1C1CC(C)NC(C)C1
InChIInChI=1S/C15H22F3NOS/c1-9-6-12(7-10(2)19-9)14-11(4-5-20-3)8-13(21-14)15(16,17)18/h8-10,12,19H,4-7H2,1-3H3
InChIKeyRQZDGBDYDPVDER-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine?
The IUPAC name of 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine (CID 167023873) is 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine?
The canonical SMILES for 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine is COCCc1cc(C(F)(F)F)sc1C1CC(C)NC(C)C1.
What is the InChIKey of 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine?
The InChIKey is RQZDGBDYDPVDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NOS/c1-9-6-12(7-10(2)19-9)14-11(4-5-20-3)8-13(21-14)15(16,17)18/h8-10,12,19H,4-7H2,1-3H3.
What are the key properties of 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine?
4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine has a molecular weight of 321.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-2,6-dimethylpiperidine is sourced from PubChem (CID 167023873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).