1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C14H18FNO2 — CID 62024778

IUPAC1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)CC1)c1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)14(18)9-16-6-4-11(10-17)5-7-16/h1-3,8,11,17H,4-7,9-10H2
InChIKeyPJDQHUQMZGVFRX-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.71
Rot. Bonds4

About 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone

1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 62024778) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID62024778
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)CC1)c1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)14(18)9-16-6-4-11(10-17)5-7-16/h1-3,8,11,17H,4-7,9-10H2
InChIKeyPJDQHUQMZGVFRX-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
1-(3-fluorophenyl)-2-(4-methylsulfanylazepan-1-yl)ethanone
CID 114237539
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 63972803
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
2-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(3-fluorophenyl)ethanone;benzene
CID 144818766
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435
[4-(3-fluorophenyl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 71032297

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 62024778) is 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CN1CCC(CO)CC1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is PJDQHUQMZGVFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)14(18)9-16-6-4-11(10-17)5-7-16/h1-3,8,11,17H,4-7,9-10H2.
What are the key properties of 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 251.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62024778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).