2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide

C16H23FN2O3 — CID 3228801

IUPAC2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O3/c1-22-11-8-18-15(20)12-19-9-6-16(21,7-10-19)13-4-2-3-5-14(13)17/h2-5,21H,6-12H2,1H3,(H,18,20)
InChIKeyBSOMSKSWKYZPLH-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.87
Rot. Bonds6

About 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 3228801) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID3228801
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O3/c1-22-11-8-18-15(20)12-19-9-6-16(21,7-10-19)13-4-2-3-5-14(13)17/h2-5,21H,6-12H2,1H3,(H,18,20)
InChIKeyBSOMSKSWKYZPLH-UHFFFAOYSA-N
XLogP0.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-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
N-(4-Fluoro-benzyl)-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 646544
2-(4-Hydroxy-4-phenyl-piperidin-1-yl)-N-isopropyl-acetamide
CID 652677
2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide
CID 3228760
N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 3228809
2-(3-hydroxy-4-phenylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 6483916
N-(3-methoxypropyl)-2-(2-phenylmorpholin-4-yl)acetamide
CID 51080680
1-[4-[2-Hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]ethanone
CID 53567851

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 3228801) is 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCC(O)(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is BSOMSKSWKYZPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-22-11-8-18-15(20)12-19-9-6-16(21,7-10-19)13-4-2-3-5-14(13)17/h2-5,21H,6-12H2,1H3,(H,18,20).
What are the key properties of 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 310.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3228801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).