1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one

C11H19F2NO3 — CID 121261826

IUPAC1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one
SMILESCC(C)O[C@H]1CCN(C(=O)CCO)CC1(F)F
InChIInChI=1S/C11H19F2NO3/c1-8(2)17-9-3-5-14(7-11(9,12)13)10(16)4-6-15/h8-9,15H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyIVYBYHAMTVWPGF-VIFPVBQESA-N
MW251.27 g/mol
LogP1.03
Rot. Bonds4

About 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one

1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one (PubChem CID 121261826) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one
PubChem CID121261826
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one
SMILESCC(C)O[C@H]1CCN(C(=O)CCO)CC1(F)F
InChIInChI=1S/C11H19F2NO3/c1-8(2)17-9-3-5-14(7-11(9,12)13)10(16)4-6-15/h8-9,15H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyIVYBYHAMTVWPGF-VIFPVBQESA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one (CID 121261826) is 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one is CC(C)O[C@H]1CCN(C(=O)CCO)CC1(F)F.
What is the InChIKey of 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is IVYBYHAMTVWPGF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-8(2)17-9-3-5-14(7-11(9,12)13)10(16)4-6-15/h8-9,15H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one?
1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 251.27 g/mol, XLogP of 1.03, 4 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-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 121261826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).