N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide

C15H21FN2O2 — CID 70917013

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-17(15(20)11-19)14-6-8-18(9-7-14)10-12-2-4-13(16)5-3-12/h2-5,14,19H,6-11H2,1H3
InChIKeyJPKMROZIGOYVSC-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.24
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide (PubChem CID 70917013) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide
PubChem CID70917013
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-17(15(20)11-19)14-6-8-18(9-7-14)10-12-2-4-13(16)5-3-12/h2-5,14,19H,6-11H2,1H3
InChIKeyJPKMROZIGOYVSC-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
2-Hydroxy-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
CID 16769566
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
(2R)-1-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10759867
N-benzyl-1-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24817028
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-acetamide
CID 44404544
4-((2-Fluorophenyl)methyl)-1-piperazineethanol
CID 2795688
(2R)-1-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10687855
N-benzyl-1-(4-fluorobenzyl)-N-(2-hydroxyethyl)-4-piperidinecarboxamide
CID 1343462
1-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 783394
2-[4-(3-Fluorobenzyl)piperazino]ethan-1-ol
CID 735735

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide (CID 70917013) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide is CN(C(=O)CO)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide?
The InChIKey is JPKMROZIGOYVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17(15(20)11-19)14-6-8-18(9-7-14)10-12-2-4-13(16)5-3-12/h2-5,14,19H,6-11H2,1H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide has a molecular weight of 280.34 g/mol, XLogP of 1.24, 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)methyl]piperidin-4-yl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 70917013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).