2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide

C9H15F3N2O2 — CID 58693799

IUPAC2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide
SMILESO=C(NCCC1(O)CCNCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)14-6-3-8(16)1-4-13-5-2-8/h13,16H,1-6H2,(H,14,15)
InChIKeyIIKRGQMRAMISNM-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.17
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide (PubChem CID 58693799) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide
PubChem CID58693799
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide
SMILESO=C(NCCC1(O)CCNCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)14-6-3-8(16)1-4-13-5-2-8/h13,16H,1-6H2,(H,14,15)
InChIKeyIIKRGQMRAMISNM-UHFFFAOYSA-N
XLogP0.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide (CID 58693799) is 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide is O=C(NCCC1(O)CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide?
The InChIKey is IIKRGQMRAMISNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)14-6-3-8(16)1-4-13-5-2-8/h13,16H,1-6H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-hydroxypiperidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 58693799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).