1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one

C14H18FNO — CID 131872564

IUPAC1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one
SMILESCC(C)C1CC(=O)CCN1c1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-10(2)14-9-13(17)6-7-16(14)12-5-3-4-11(15)8-12/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyWZQGEJWTRJKKLU-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.02
Rot. Bonds2

About 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one

1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one (PubChem CID 131872564) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one
PubChem CID131872564
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one
SMILESCC(C)C1CC(=O)CCN1c1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-10(2)14-9-13(17)6-7-16(14)12-5-3-4-11(15)8-12/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyWZQGEJWTRJKKLU-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one?
The IUPAC name of 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one (CID 131872564) is 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one?
The canonical SMILES for 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one is CC(C)C1CC(=O)CCN1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one?
The InChIKey is WZQGEJWTRJKKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10(2)14-9-13(17)6-7-16(14)12-5-3-4-11(15)8-12/h3-5,8,10,14H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one?
1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one has a molecular weight of 235.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-propan-2-ylpiperidin-4-one is sourced from PubChem (CID 131872564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).