2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C14H25F3N2O2 — CID 111750126

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C14H25F3N2O2/c1-11(2)6-19(10-14(15,16)17)13(21)8-18-5-3-4-12(7-18)9-20/h11-12,20H,3-10H2,1-2H3
InChIKeyZBHLFQVZGFOOGT-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.74
Rot. Bonds6

About 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111750126) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111750126
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C14H25F3N2O2/c1-11(2)6-19(10-14(15,16)17)13(21)8-18-5-3-4-12(7-18)9-20/h11-12,20H,3-10H2,1-2H3
InChIKeyZBHLFQVZGFOOGT-UHFFFAOYSA-N
XLogP1.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 111750126) is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)CN1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZBHLFQVZGFOOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-11(2)6-19(10-14(15,16)17)13(21)8-18-5-3-4-12(7-18)9-20/h11-12,20H,3-10H2,1-2H3.
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111750126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).