2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide

C16H21FN2O2 — CID 3228760

IUPAC2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-9-18-15(20)12-19-10-7-16(21,8-11-19)13-5-3-4-6-14(13)17/h2-6,21H,1,7-12H2,(H,18,20)
InChIKeyDBYJELFUGWSWDM-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.41
Rot. Bonds5

About 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide

2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 3228760) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID3228760
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-9-18-15(20)12-19-10-7-16(21,8-11-19)13-5-3-4-6-14(13)17/h2-6,21H,1,7-12H2,(H,18,20)
InChIKeyDBYJELFUGWSWDM-UHFFFAOYSA-N
XLogP1.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 2541146
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-piperazin-2-ylmethanone
CID 54587110
1-[4-(3-Fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 1446465
Cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 1446508
4-(4-Fluorophenyl)piperidin-4-ol
CID 77497
2-[4-(4-Fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-N-(2-methyl-cyclohexyl)-acetamide
CID 650020
N-Allyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 650451
2-[3-(4-Fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3228776
N-tert-Butyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 649927
N-Allyl-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 653579
2-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-N-phenethyl-acetamide
CID 3228837
4-(2-Fluorophenyl)piperidin-4-ol
CID 5195439

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide (CID 3228760) is 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(O)(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is DBYJELFUGWSWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-9-18-15(20)12-19-10-7-16(21,8-11-19)13-5-3-4-6-14(13)17/h2-6,21H,1,7-12H2,(H,18,20).
What are the key properties of 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 292.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 3228760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).