1-benzyl-4-fluoropiperidin-3-one

C12H14FNO — CID 83670241

IUPAC1-benzyl-4-fluoropiperidin-3-one
SMILESO=C1CN(Cc2ccccc2)CCC1F
InChIInChI=1S/C12H14FNO/c13-11-6-7-14(9-12(11)15)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyRAEPQXKUXFQEIA-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.80
Rot. Bonds2

About 1-benzyl-4-fluoropiperidin-3-one

1-benzyl-4-fluoropiperidin-3-one (PubChem CID 83670241) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-benzyl-4-fluoropiperidin-3-one.

Molecular Properties

Compound Name1-benzyl-4-fluoropiperidin-3-one
PubChem CID83670241
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-benzyl-4-fluoropiperidin-3-one
SMILESO=C1CN(Cc2ccccc2)CCC1F
InChIInChI=1S/C12H14FNO/c13-11-6-7-14(9-12(11)15)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyRAEPQXKUXFQEIA-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(3-chlorophenyl)piperidin-3-one
CID 141447100
2-(1-benzyl-3-oxopiperidin-4-yl)ethyl formate
CID 174465482
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739
1-benzyl-2,2,4-trideuterio-4-(trideuteriomethyl)piperidin-3-one
CID 59575832
(4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-one
CID 95242083
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylpiperidin-3-one;hydrate
CID 144851326
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone
CID 10967144
1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone
CID 10889700
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-fluoropiperidin-3-one?
The IUPAC name of 1-benzyl-4-fluoropiperidin-3-one (CID 83670241) is 1-benzyl-4-fluoropiperidin-3-one.
What is the SMILES notation for 1-benzyl-4-fluoropiperidin-3-one?
The canonical SMILES for 1-benzyl-4-fluoropiperidin-3-one is O=C1CN(Cc2ccccc2)CCC1F.
What is the InChIKey of 1-benzyl-4-fluoropiperidin-3-one?
The InChIKey is RAEPQXKUXFQEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-6-7-14(9-12(11)15)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 1-benzyl-4-fluoropiperidin-3-one?
1-benzyl-4-fluoropiperidin-3-one has a molecular weight of 207.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-fluoropiperidin-3-one is sourced from PubChem (CID 83670241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).