1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

C11H20F3N3O — CID 103993092

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN1CCC(C)(CNC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-10(3-5-17(2)6-4-10)7-15-9(18)16-8-11(12,13)14/h3-8H2,1-2H3,(H2,15,16,18)
InChIKeyKTSYZKUQXJJQFL-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.58
Rot. Bonds3

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103993092) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID103993092
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN1CCC(C)(CNC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-10(3-5-17(2)6-4-10)7-15-9(18)16-8-11(12,13)14/h3-8H2,1-2H3,(H2,15,16,18)
InChIKeyKTSYZKUQXJJQFL-UHFFFAOYSA-N
XLogP1.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 103993092) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is CN1CCC(C)(CNC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is KTSYZKUQXJJQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-10(3-5-17(2)6-4-10)7-15-9(18)16-8-11(12,13)14/h3-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 267.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103993092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).