1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea

C10H18F3N3O — CID 47252530

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1CCCC(C)N1NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-7-4-3-5-8(2)16(7)15-9(17)14-6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyOYXJIQJBJGFZBW-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.03
Rot. Bonds2

About 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea

1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47252530) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID47252530
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1CCCC(C)N1NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-7-4-3-5-8(2)16(7)15-9(17)14-6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyOYXJIQJBJGFZBW-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea (CID 47252530) is 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea is CC1CCCC(C)N1NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is OYXJIQJBJGFZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-7-4-3-5-8(2)16(7)15-9(17)14-6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47252530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).