2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide

C11H19F3N2O2 — CID 135257207

IUPAC2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(C)N1CCC(O)(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)16-5-3-10(18,4-6-16)7-15-9(17)11(12,13)14/h8,18H,3-7H2,1-2H3,(H,15,17)
InChIKeyOTMNDZALIMIOLK-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide

2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 135257207) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide
PubChem CID135257207
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(C)N1CCC(O)(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)16-5-3-10(18,4-6-16)7-15-9(17)11(12,13)14/h8,18H,3-7H2,1-2H3,(H,15,17)
InChIKeyOTMNDZALIMIOLK-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide (CID 135257207) is 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide is CC(C)N1CCC(O)(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is OTMNDZALIMIOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2)16-5-3-10(18,4-6-16)7-15-9(17)11(12,13)14/h8,18H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 135257207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).