(2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one

C11H20FNO2 — CID 126791037

IUPAC(2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@@H](O)C(=O)N1CCC(CF)CC1
InChIInChI=1S/C11H20FNO2/c1-8(2)10(14)11(15)13-5-3-9(7-12)4-6-13/h8-10,14H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyVWOSGCCGCSGYAD-SNVBAGLBSA-N
MW217.28 g/mol
LogP1.21
Rot. Bonds3

About (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one

(2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one (PubChem CID 126791037) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one
PubChem CID126791037
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name(2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@@H](O)C(=O)N1CCC(CF)CC1
InChIInChI=1S/C11H20FNO2/c1-8(2)10(14)11(15)13-5-3-9(7-12)4-6-13/h8-10,14H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyVWOSGCCGCSGYAD-SNVBAGLBSA-N
XLogP1.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one (CID 126791037) is (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one is CC(C)[C@@H](O)C(=O)N1CCC(CF)CC1.
What is the InChIKey of (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one?
The InChIKey is VWOSGCCGCSGYAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-8(2)10(14)11(15)13-5-3-9(7-12)4-6-13/h8-10,14H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one?
(2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one has a molecular weight of 217.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(fluoromethyl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 126791037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).