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

C14H18FNO — CID 54975170

IUPAC1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one
SMILESCC1CN(C(C)c2ccccc2F)CCC1=O
InChIInChI=1S/C14H18FNO/c1-10-9-16(8-7-14(10)17)11(2)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9H2,1-2H3
InChIKeyGELWZRFEYYAPCB-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.80
Rot. Bonds2

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

1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one (PubChem CID 54975170) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one
PubChem CID54975170
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one
SMILESCC1CN(C(C)c2ccccc2F)CCC1=O
InChIInChI=1S/C14H18FNO/c1-10-9-16(8-7-14(10)17)11(2)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9H2,1-2H3
InChIKeyGELWZRFEYYAPCB-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one (CID 54975170) is 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one is CC1CN(C(C)c2ccccc2F)CCC1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one?
The InChIKey is GELWZRFEYYAPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-9-16(8-7-14(10)17)11(2)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one?
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one has a molecular weight of 235.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 54975170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).