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

C12H21F3N2O2 — CID 138612298

IUPAC2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide
SMILESCC(C)N1CCC(C(O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-8(2)17-5-3-9(4-6-17)10(18)7-16-11(19)12(13,14)15/h8-10,18H,3-7H2,1-2H3,(H,16,19)
InChIKeyLHSNJXVJNITRNQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds4

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

2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide (PubChem CID 138612298) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide
PubChem CID138612298
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide
SMILESCC(C)N1CCC(C(O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-8(2)17-5-3-9(4-6-17)10(18)7-16-11(19)12(13,14)15/h8-10,18H,3-7H2,1-2H3,(H,16,19)
InChIKeyLHSNJXVJNITRNQ-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
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-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide (CID 138612298) is 2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide is CC(C)N1CCC(C(O)CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide?
The InChIKey is LHSNJXVJNITRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(2)17-5-3-9(4-6-17)10(18)7-16-11(19)12(13,14)15/h8-10,18H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 4 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-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 138612298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).