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

C12H23FN2O2 — CID 166764713

IUPAC2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1(F)CCN(CCO)CC1
InChIInChI=1S/C12H23FN2O2/c1-10(2)14-11(17)9-12(13)3-5-15(6-4-12)7-8-16/h10,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyGHQMEZHZRIXBRC-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.70
Rot. Bonds5

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

2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide (PubChem CID 166764713) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
PubChem CID166764713
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Name2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1(F)CCN(CCO)CC1
InChIInChI=1S/C12H23FN2O2/c1-10(2)14-11(17)9-12(13)3-5-15(6-4-12)7-8-16/h10,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyGHQMEZHZRIXBRC-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-methylpropanamide
CID 72111004
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54874246
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 53619835
2-(4-fluoropiperidin-4-yl)-N-propan-2-ylacetamide
CID 84721488
2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 137434004
N-[(3-fluoropiperidin-4-yl)methyl]-2-hydroxy-N-propan-2-ylpropanamide
CID 139518591
N-[(2S)-butan-2-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 142520308
N-[(2S)-butan-2-yl]-2-(4-fluoro-1-methylpiperidin-4-yl)acetamide
CID 142520366
3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
CID 146329211
2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 146329737
3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-(iodomethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 174339844
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 54874244

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide (CID 166764713) is 2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1(F)CCN(CCO)CC1.
What is the InChIKey of 2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is GHQMEZHZRIXBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-10(2)14-11(17)9-12(13)3-5-15(6-4-12)7-8-16/h10,16H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 246.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 166764713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).