1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one

C17H24FNO2 — CID 143163497

IUPAC1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one
SMILESCc1cc(F)ccc1C1CCCCN1C(=O)CC(C)(C)O
InChIInChI=1S/C17H24FNO2/c1-12-10-13(18)7-8-14(12)15-6-4-5-9-19(15)16(20)11-17(2,3)21/h7-8,10,15,21H,4-6,9,11H2,1-3H3
InChIKeyFXXRRHPWUIFSBP-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.35
Rot. Bonds3

About 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one

1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one (PubChem CID 143163497) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one
PubChem CID143163497
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one
SMILESCc1cc(F)ccc1C1CCCCN1C(=O)CC(C)(C)O
InChIInChI=1S/C17H24FNO2/c1-12-10-13(18)7-8-14(12)15-6-4-5-9-19(15)16(20)11-17(2,3)21/h7-8,10,15,21H,4-6,9,11H2,1-3H3
InChIKeyFXXRRHPWUIFSBP-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one (CID 143163497) is 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one is Cc1cc(F)ccc1C1CCCCN1C(=O)CC(C)(C)O.
What is the InChIKey of 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one?
The InChIKey is FXXRRHPWUIFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-12-10-13(18)7-8-14(12)15-6-4-5-9-19(15)16(20)11-17(2,3)21/h7-8,10,15,21H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one?
1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 143163497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).