[2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone

C13H16FNO2 — CID 54374380

IUPAC[2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCCC1(O)CF
InChIInChI=1S/C13H16FNO2/c14-10-13(17)8-4-5-9-15(13)12(16)11-6-2-1-3-7-11/h1-3,6-7,17H,4-5,8-10H2
InChIKeyUVLICQBOALNCFI-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.97
Rot. Bonds2

About [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone

[2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone (PubChem CID 54374380) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone
PubChem CID54374380
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCCC1(O)CF
InChIInChI=1S/C13H16FNO2/c14-10-13(17)8-4-5-9-15(13)12(16)11-6-2-1-3-7-11/h1-3,6-7,17H,4-5,8-10H2
InChIKeyUVLICQBOALNCFI-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone?
The IUPAC name of [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone (CID 54374380) is [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCCC1(O)CF.
What is the InChIKey of [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone?
The InChIKey is UVLICQBOALNCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-13(17)8-4-5-9-15(13)12(16)11-6-2-1-3-7-11/h1-3,6-7,17H,4-5,8-10H2.
What are the key properties of [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone?
[2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone has a molecular weight of 237.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)-2-hydroxypiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 54374380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).