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

C13H16FNO — CID 167714144

IUPAC1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
SMILESC[C@@H](c1ccccc1F)N1CCC(=O)CC1
InChIInChI=1S/C13H16FNO/c1-10(12-4-2-3-5-13(12)14)15-8-6-11(16)7-9-15/h2-5,10H,6-9H2,1H3/t10-/m0/s1
InChIKeyNKQPWMVOLGDSML-JTQLQIEISA-N
MW221.28 g/mol
LogP2.55
Rot. Bonds2

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

1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one (PubChem CID 167714144) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
PubChem CID167714144
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
SMILESC[C@@H](c1ccccc1F)N1CCC(=O)CC1
InChIInChI=1S/C13H16FNO/c1-10(12-4-2-3-5-13(12)14)15-8-6-11(16)7-9-15/h2-5,10H,6-9H2,1H3/t10-/m0/s1
InChIKeyNKQPWMVOLGDSML-JTQLQIEISA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one?
The IUPAC name of 1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one (CID 167714144) is 1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one?
The canonical SMILES for 1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one is C[C@@H](c1ccccc1F)N1CCC(=O)CC1.
What is the InChIKey of 1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one?
The InChIKey is NKQPWMVOLGDSML-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16FNO/c1-10(12-4-2-3-5-13(12)14)15-8-6-11(16)7-9-15/h2-5,10H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one?
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one has a molecular weight of 221.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one is sourced from PubChem (CID 167714144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).