[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone

C13H24FN3O2 — CID 140709109

IUPAC[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CNCCN2)C[C@H]1F
InChIInChI=1S/C13H24FN3O2/c1-9(2)19-12-3-6-17(8-10(12)14)13(18)11-7-15-4-5-16-11/h9-12,15-16H,3-8H2,1-2H3/t10-,11?,12+/m1/s1
InChIKeyYBBAYBWDJMUWOE-LWALXPGCSA-N
MW273.35 g/mol
LogP-0.09
Rot. Bonds3

About [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone

[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone (PubChem CID 140709109) has the molecular formula C13H24FN3O2 and a molecular weight of 273.35 g/mol. Its IUPAC name is [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone
PubChem CID140709109
Molecular FormulaC13H24FN3O2
Molecular Weight273.35 g/mol
Exact Mass273.19
IUPAC Name[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2CNCCN2)C[C@H]1F
InChIInChI=1S/C13H24FN3O2/c1-9(2)19-12-3-6-17(8-10(12)14)13(18)11-7-15-4-5-16-11/h9-12,15-16H,3-8H2,1-2H3/t10-,11?,12+/m1/s1
InChIKeyYBBAYBWDJMUWOE-LWALXPGCSA-N
XLogP-0.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone?
The IUPAC name of [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone (CID 140709109) is [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone.
What is the SMILES notation for [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone?
The canonical SMILES for [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone is CC(C)O[C@H]1CCN(C(=O)C2CNCCN2)C[C@H]1F.
What is the InChIKey of [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone?
The InChIKey is YBBAYBWDJMUWOE-LWALXPGCSA-N. The full InChI is InChI=1S/C13H24FN3O2/c1-9(2)19-12-3-6-17(8-10(12)14)13(18)11-7-15-4-5-16-11/h9-12,15-16H,3-8H2,1-2H3/t10-,11?,12+/m1/s1.
What are the key properties of [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone?
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone has a molecular weight of 273.35 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-piperazin-2-ylmethanone is sourced from PubChem (CID 140709109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).