3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea

C10H18F3N3O — CID 43604134

IUPAC3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea
SMILESCCNC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H18F3N3O/c1-2-15-9(17)16(7-10(11,12)13)8-3-5-14-6-4-8/h8,14H,2-7H2,1H3,(H,15,17)
InChIKeyKIYPOYIZRUMPPA-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.33
Rot. Bonds3

About 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea

3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 43604134) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea
PubChem CID43604134
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea
SMILESCCNC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H18F3N3O/c1-2-15-9(17)16(7-10(11,12)13)8-3-5-14-6-4-8/h8,14H,2-7H2,1H3,(H,15,17)
InChIKeyKIYPOYIZRUMPPA-UHFFFAOYSA-N
XLogP1.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea (CID 43604134) is 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea is CCNC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is KIYPOYIZRUMPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-2-15-9(17)16(7-10(11,12)13)8-3-5-14-6-4-8/h8,14H,2-7H2,1H3,(H,15,17).
What are the key properties of 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea?
3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-piperidin-4-yl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 43604134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).