1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea

C11H21F2N3O2 — CID 60605165

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N3O2/c1-18-7-4-14-11(17)15-9-2-5-16(6-3-9)8-10(12)13/h9-10H,2-8H2,1H3,(H2,14,15,17)
InChIKeyLWZZSFLKAILNCM-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.66
Rot. Bonds6

About 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea (PubChem CID 60605165) has the molecular formula C11H21F2N3O2 and a molecular weight of 265.30 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea
PubChem CID60605165
Molecular FormulaC11H21F2N3O2
Molecular Weight265.30 g/mol
Exact Mass265.16
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N3O2/c1-18-7-4-14-11(17)15-9-2-5-16(6-3-9)8-10(12)13/h9-10H,2-8H2,1H3,(H2,14,15,17)
InChIKeyLWZZSFLKAILNCM-UHFFFAOYSA-N
XLogP0.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea (CID 60605165) is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea is COCCNC(=O)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea?
The InChIKey is LWZZSFLKAILNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O2/c1-18-7-4-14-11(17)15-9-2-5-16(6-3-9)8-10(12)13/h9-10H,2-8H2,1H3,(H2,14,15,17).
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea has a molecular weight of 265.30 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 60605165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).