1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

C15H20FNO2 — CID 62037342

IUPAC1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCCCC1CO
InChIInChI=1S/C15H20FNO2/c1-11(17-9-3-2-4-14(17)10-18)15(19)12-5-7-13(16)8-6-12/h5-8,11,14,18H,2-4,9-10H2,1H3
InChIKeyCJIMPWYNMOYVAQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 62037342) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID62037342
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCCCC1CO
InChIInChI=1S/C15H20FNO2/c1-11(17-9-3-2-4-14(17)10-18)15(19)12-5-7-13(16)8-6-12/h5-8,11,14,18H,2-4,9-10H2,1H3
InChIKeyCJIMPWYNMOYVAQ-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62053303
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055660
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 43797171
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 62037342) is 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is CC(C(=O)c1ccc(F)cc1)N1CCCCC1CO.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CJIMPWYNMOYVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11(17-9-3-2-4-14(17)10-18)15(19)12-5-7-13(16)8-6-12/h5-8,11,14,18H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 62037342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).