1-[(3S)-3-fluoropiperidin-3-yl]ethanone

C7H12FNO — CID 167202944

IUPAC1-[(3S)-3-fluoropiperidin-3-yl]ethanone
SMILESCC(=O)[C@]1(F)CCCNC1
InChIInChI=1S/C7H12FNO/c1-6(10)7(8)3-2-4-9-5-7/h9H,2-5H2,1H3/t7-/m0/s1
InChIKeyVPGMZXWYLHTOBY-ZETCQYMHSA-N
MW145.18 g/mol
LogP0.67
Rot. Bonds1

About 1-[(3S)-3-fluoropiperidin-3-yl]ethanone

1-[(3S)-3-fluoropiperidin-3-yl]ethanone (PubChem CID 167202944) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-[(3S)-3-fluoropiperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-fluoropiperidin-3-yl]ethanone
PubChem CID167202944
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-[(3S)-3-fluoropiperidin-3-yl]ethanone
SMILESCC(=O)[C@]1(F)CCCNC1
InChIInChI=1S/C7H12FNO/c1-6(10)7(8)3-2-4-9-5-7/h9H,2-5H2,1H3/t7-/m0/s1
InChIKeyVPGMZXWYLHTOBY-ZETCQYMHSA-N
XLogP0.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluoropiperidin-3-yl]ethanone?
The IUPAC name of 1-[(3S)-3-fluoropiperidin-3-yl]ethanone (CID 167202944) is 1-[(3S)-3-fluoropiperidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-fluoropiperidin-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-fluoropiperidin-3-yl]ethanone is CC(=O)[C@]1(F)CCCNC1.
What is the InChIKey of 1-[(3S)-3-fluoropiperidin-3-yl]ethanone?
The InChIKey is VPGMZXWYLHTOBY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(10)7(8)3-2-4-9-5-7/h9H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(3S)-3-fluoropiperidin-3-yl]ethanone?
1-[(3S)-3-fluoropiperidin-3-yl]ethanone has a molecular weight of 145.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-fluoropiperidin-3-yl]ethanone is sourced from PubChem (CID 167202944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).