4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide

C11H19F3N2O2 — CID 131937108

IUPAC4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide
SMILESCN1CCC(O)(CNC(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-16-6-4-10(18,5-7-16)8-15-9(17)2-3-11(12,13)14/h18H,2-8H2,1H3,(H,15,17)
InChIKeyNSNDRUOZLABSJH-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds4

About 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide

4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide (PubChem CID 131937108) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide
PubChem CID131937108
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide
SMILESCN1CCC(O)(CNC(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-16-6-4-10(18,5-7-16)8-15-9(17)2-3-11(12,13)14/h18H,2-8H2,1H3,(H,15,17)
InChIKeyNSNDRUOZLABSJH-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide (CID 131937108) is 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide is CN1CCC(O)(CNC(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide?
The InChIKey is NSNDRUOZLABSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-16-6-4-10(18,5-7-16)8-15-9(17)2-3-11(12,13)14/h18H,2-8H2,1H3,(H,15,17).
What are the key properties of 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide?
4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide has a molecular weight of 268.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 131937108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).