N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide

C16H23FN2O2 — CID 110882454

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN1CCC(O)CC1
InChIInChI=1S/C16H23FN2O2/c1-12(13-3-5-14(17)6-4-13)18(2)16(21)11-19-9-7-15(20)8-10-19/h3-6,12,15,20H,7-11H2,1-2H3
InChIKeyIEBLTYGDPAJLJN-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.80
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide

N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide (PubChem CID 110882454) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
PubChem CID110882454
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN1CCC(O)CC1
InChIInChI=1S/C16H23FN2O2/c1-12(13-3-5-14(17)6-4-13)18(2)16(21)11-19-9-7-15(20)8-10-19/h3-6,12,15,20H,7-11H2,1-2H3
InChIKeyIEBLTYGDPAJLJN-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide (CID 110882454) is N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)CN1CCC(O)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
The InChIKey is IEBLTYGDPAJLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(13-3-5-14(17)6-4-13)18(2)16(21)11-19-9-7-15(20)8-10-19/h3-6,12,15,20H,7-11H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide?
N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide has a molecular weight of 294.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 110882454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).