1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine

C8H15FN2O — CID 126848009

IUPAC1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine
SMILESF[C@@H]1COC[C@H]1N1CCNCC1
InChIInChI=1S/C8H15FN2O/c9-7-5-12-6-8(7)11-3-1-10-2-4-11/h7-8,10H,1-6H2/t7-,8-/m1/s1
InChIKeyXFUBSVROXNXQDL-HTQZYQBOSA-N
MW174.22 g/mol
LogP-0.37
Rot. Bonds1

About 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine

1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine (PubChem CID 126848009) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine.

Molecular Properties

Compound Name1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine
PubChem CID126848009
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine
SMILESF[C@@H]1COC[C@H]1N1CCNCC1
InChIInChI=1S/C8H15FN2O/c9-7-5-12-6-8(7)11-3-1-10-2-4-11/h7-8,10H,1-6H2/t7-,8-/m1/s1
InChIKeyXFUBSVROXNXQDL-HTQZYQBOSA-N
XLogP-0.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine?
The IUPAC name of 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine (CID 126848009) is 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine.
What is the SMILES notation for 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine?
The canonical SMILES for 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine is F[C@@H]1COC[C@H]1N1CCNCC1.
What is the InChIKey of 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine?
The InChIKey is XFUBSVROXNXQDL-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15FN2O/c9-7-5-12-6-8(7)11-3-1-10-2-4-11/h7-8,10H,1-6H2/t7-,8-/m1/s1.
What are the key properties of 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine?
1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine has a molecular weight of 174.22 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine is sourced from PubChem (CID 126848009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).