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

C11H20F3N3O — CID 43604132

IUPAC1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
SMILESCC(C)NC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H20F3N3O/c1-8(2)16-10(18)17(7-11(12,13)14)9-3-5-15-6-4-9/h8-9,15H,3-7H2,1-2H3,(H,16,18)
InChIKeyHLCKOZGPJMQBMN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.72
Rot. Bonds3

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

1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 43604132) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
PubChem CID43604132
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
SMILESCC(C)NC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H20F3N3O/c1-8(2)16-10(18)17(7-11(12,13)14)9-3-5-15-6-4-9/h8-9,15H,3-7H2,1-2H3,(H,16,18)
InChIKeyHLCKOZGPJMQBMN-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea (CID 43604132) is 1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea is CC(C)NC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is HLCKOZGPJMQBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-8(2)16-10(18)17(7-11(12,13)14)9-3-5-15-6-4-9/h8-9,15H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 267.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 43604132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).