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

C10H18F3N3O — CID 113233560

IUPAC1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN1CCCC(CNC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O/c1-16-4-2-3-8(6-16)5-14-9(17)15-7-10(11,12)13/h8H,2-7H2,1H3,(H2,14,15,17)
InChIKeyFPICZDAPBTURLB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.19
Rot. Bonds3

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

1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113233560) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID113233560
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN1CCCC(CNC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O/c1-16-4-2-3-8(6-16)5-14-9(17)15-7-10(11,12)13/h8H,2-7H2,1H3,(H2,14,15,17)
InChIKeyFPICZDAPBTURLB-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 113233560) is 1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is CN1CCCC(CNC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is FPICZDAPBTURLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-16-4-2-3-8(6-16)5-14-9(17)15-7-10(11,12)13/h8H,2-7H2,1H3,(H2,14,15,17).
What are the key properties of 1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113233560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).