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

C19H30F3NOS — CID 167023855

IUPAC2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine
SMILESCCCCC1CC(C)(c2sc(C(F)(F)F)cc2CCOC)CC(C)N1
InChIInChI=1S/C19H30F3NOS/c1-5-6-7-15-12-18(3,11-13(2)23-15)17-14(8-9-24-4)10-16(25-17)19(20,21)22/h10,13,15,23H,5-9,11-12H2,1-4H3
InChIKeyFKWVXALMHJHHPU-UHFFFAOYSA-N
MW377.52 g/mol
LogP5.54
Rot. Bonds7

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

2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine (PubChem CID 167023855) has the molecular formula C19H30F3NOS and a molecular weight of 377.52 g/mol. Its IUPAC name is 2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine.

Molecular Properties

Compound Name2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine
PubChem CID167023855
Molecular FormulaC19H30F3NOS
Molecular Weight377.52 g/mol
Exact Mass377.20
IUPAC Name2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine
SMILESCCCCC1CC(C)(c2sc(C(F)(F)F)cc2CCOC)CC(C)N1
InChIInChI=1S/C19H30F3NOS/c1-5-6-7-15-12-18(3,11-13(2)23-15)17-14(8-9-24-4)10-16(25-17)19(20,21)22/h10,13,15,23H,5-9,11-12H2,1-4H3
InChIKeyFKWVXALMHJHHPU-UHFFFAOYSA-N
XLogP5.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.52
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine?
The IUPAC name of 2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine (CID 167023855) is 2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine.
What is the SMILES notation for 2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine?
The canonical SMILES for 2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine is CCCCC1CC(C)(c2sc(C(F)(F)F)cc2CCOC)CC(C)N1.
What is the InChIKey of 2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine?
The InChIKey is FKWVXALMHJHHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3NOS/c1-5-6-7-15-12-18(3,11-13(2)23-15)17-14(8-9-24-4)10-16(25-17)19(20,21)22/h10,13,15,23H,5-9,11-12H2,1-4H3.
What are the key properties of 2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine?
2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine has a molecular weight of 377.52 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[3-(2-methoxyethyl)-5-(trifluoromethyl)thiophen-2-yl]-4,6-dimethylpiperidine is sourced from PubChem (CID 167023855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).