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

C14H18FNO2 — CID 14677538

IUPAC1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-12(2-4-13)14(18)9-16-7-5-11(10-17)6-8-16/h1-4,11,17H,5-10H2
InChIKeyCOSZQUQWZHGBAJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.71
Rot. Bonds4

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

1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 14677538) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID14677538
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-12(2-4-13)14(18)9-16-7-5-11(10-17)6-8-16/h1-4,11,17H,5-10H2
InChIKeyCOSZQUQWZHGBAJ-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

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Related Compounds

1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate
CID 175555428
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
1-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223613
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
3-benzyl-1-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-1-methylurea
CID 171487588

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 14677538) is 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CN1CCC(CO)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is COSZQUQWZHGBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-12(2-4-13)14(18)9-16-7-5-11(10-17)6-8-16/h1-4,11,17H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
1-(4-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-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14677538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).