1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone

C7H12FNO2 — CID 155904213

IUPAC1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](O)[C@H](F)C1
InChIInChI=1S/C7H12FNO2/c1-5(10)9-3-2-7(11)6(8)4-9/h6-7,11H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyPMZDRBGIHKWXPU-RQJHMYQMSA-N
MW161.18 g/mol
LogP-0.06
Rot. Bonds

About 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone

1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone (PubChem CID 155904213) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone
PubChem CID155904213
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](O)[C@H](F)C1
InChIInChI=1S/C7H12FNO2/c1-5(10)9-3-2-7(11)6(8)4-9/h6-7,11H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyPMZDRBGIHKWXPU-RQJHMYQMSA-N
XLogP-0.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone (CID 155904213) is 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone is CC(=O)N1CC[C@H](O)[C@H](F)C1.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone?
The InChIKey is PMZDRBGIHKWXPU-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5(10)9-3-2-7(11)6(8)4-9/h6-7,11H,2-4H2,1H3/t6-,7+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone?
1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone has a molecular weight of 161.18 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 155904213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).