1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one

C14H18FNO2 — CID 3228845

IUPAC1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2/c1-11(17)10-16-8-6-14(18,7-9-16)12-4-2-3-5-13(12)15/h2-5,18H,6-10H2,1H3
InChIKeyMIWRWCFOBFEDSY-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.70
Rot. Bonds3

About 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one

1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one (PubChem CID 3228845) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one
PubChem CID3228845
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2/c1-11(17)10-16-8-6-14(18,7-9-16)12-4-2-3-5-13(12)15/h2-5,18H,6-10H2,1H3
InChIKeyMIWRWCFOBFEDSY-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one?
The IUPAC name of 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one (CID 3228845) is 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one is CC(=O)CN1CCC(O)(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one?
The InChIKey is MIWRWCFOBFEDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11(17)10-16-8-6-14(18,7-9-16)12-4-2-3-5-13(12)15/h2-5,18H,6-10H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one?
1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one has a molecular weight of 251.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one is sourced from PubChem (CID 3228845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).