2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide

C12H23FN2O2 — CID 146329737

IUPAC2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCN(CCO)CC1F
InChIInChI=1S/C12H23FN2O2/c1-9(2)14-12(17)7-10-3-4-15(5-6-16)8-11(10)13/h9-11,16H,3-8H2,1-2H3,(H,14,17)
InChIKeyZVVBUNUPJGFDCM-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.55
Rot. Bonds5

About 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide

2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide (PubChem CID 146329737) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
PubChem CID146329737
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Name2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCN(CCO)CC1F
InChIInChI=1S/C12H23FN2O2/c1-9(2)14-12(17)7-10-3-4-15(5-6-16)8-11(10)13/h9-11,16H,3-8H2,1-2H3,(H,14,17)
InChIKeyZVVBUNUPJGFDCM-UHFFFAOYSA-N
XLogP0.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide (CID 146329737) is 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CCN(CCO)CC1F.
What is the InChIKey of 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is ZVVBUNUPJGFDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-9(2)14-12(17)7-10-3-4-15(5-6-16)8-11(10)13/h9-11,16H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 246.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 146329737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).