1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone

C11H19F2NO3 — CID 129256186

IUPAC1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone
SMILESCC(C)(C)O[C@H]1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C11H19F2NO3/c1-10(2,3)17-8-4-5-14(9(16)6-15)7-11(8,12)13/h8,15H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyRPNPZPHSYOUJSN-QMMMGPOBSA-N
MW251.27 g/mol
LogP1.03
Rot. Bonds2

About 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone

1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 129256186) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone
PubChem CID129256186
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone
SMILESCC(C)(C)O[C@H]1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C11H19F2NO3/c1-10(2,3)17-8-4-5-14(9(16)6-15)7-11(8,12)13/h8,15H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyRPNPZPHSYOUJSN-QMMMGPOBSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone (CID 129256186) is 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone is CC(C)(C)O[C@H]1CCN(C(=O)CO)CC1(F)F.
What is the InChIKey of 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is RPNPZPHSYOUJSN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-10(2,3)17-8-4-5-14(9(16)6-15)7-11(8,12)13/h8,15H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone?
1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 251.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 129256186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).