2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone

C9H16FNO2 — CID 58959826

IUPAC2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone
SMILESCC1(CO)CCN(C(=O)CF)CC1
InChIInChI=1S/C9H16FNO2/c1-9(7-12)2-4-11(5-3-9)8(13)6-10/h12H,2-7H2,1H3
InChIKeyCEMTZNPKPGSUKZ-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.58
Rot. Bonds2

About 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone

2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone (PubChem CID 58959826) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone
PubChem CID58959826
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone
SMILESCC1(CO)CCN(C(=O)CF)CC1
InChIInChI=1S/C9H16FNO2/c1-9(7-12)2-4-11(5-3-9)8(13)6-10/h12H,2-7H2,1H3
InChIKeyCEMTZNPKPGSUKZ-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone (CID 58959826) is 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone is CC1(CO)CCN(C(=O)CF)CC1.
What is the InChIKey of 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone?
The InChIKey is CEMTZNPKPGSUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(7-12)2-4-11(5-3-9)8(13)6-10/h12H,2-7H2,1H3.
What are the key properties of 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone?
2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone has a molecular weight of 189.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 58959826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).