1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one

C14H18FNO2 — CID 58122379

IUPAC1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one
SMILESCC(c1ccc(F)cc1)N1CCCC(CO)C1=O
InChIInChI=1S/C14H18FNO2/c1-10(11-4-6-13(15)7-5-11)16-8-2-3-12(9-17)14(16)18/h4-7,10,12,17H,2-3,8-9H2,1H3
InChIKeySXOWABOZEFVTBP-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds3

About 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one

1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one (PubChem CID 58122379) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one
PubChem CID58122379
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one
SMILESCC(c1ccc(F)cc1)N1CCCC(CO)C1=O
InChIInChI=1S/C14H18FNO2/c1-10(11-4-6-13(15)7-5-11)16-8-2-3-12(9-17)14(16)18/h4-7,10,12,17H,2-3,8-9H2,1H3
InChIKeySXOWABOZEFVTBP-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one (CID 58122379) is 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one is CC(c1ccc(F)cc1)N1CCCC(CO)C1=O.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one?
The InChIKey is SXOWABOZEFVTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(11-4-6-13(15)7-5-11)16-8-2-3-12(9-17)14(16)18/h4-7,10,12,17H,2-3,8-9H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one?
1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one has a molecular weight of 251.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 58122379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).