[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone

C15H26FN3O2 — CID 126780795

IUPAC[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1C[C@H](F)CN1)N1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C15H26FN3O2/c16-13-9-14(17-10-13)15(20)19-5-3-18(4-6-19)11-12-1-7-21-8-2-12/h12-14,17H,1-11H2/t13-,14+/m0/s1
InChIKeyYGFDTZZVZAXZSI-UONOGXRCSA-N
MW299.39 g/mol
LogP0.26
Rot. Bonds3

About [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone

[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 126780795) has the molecular formula C15H26FN3O2 and a molecular weight of 299.39 g/mol. Its IUPAC name is [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID126780795
Molecular FormulaC15H26FN3O2
Molecular Weight299.39 g/mol
Exact Mass299.20
IUPAC Name[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1C[C@H](F)CN1)N1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C15H26FN3O2/c16-13-9-14(17-10-13)15(20)19-5-3-18(4-6-19)11-12-1-7-21-8-2-12/h12-14,17H,1-11H2/t13-,14+/m0/s1
InChIKeyYGFDTZZVZAXZSI-UONOGXRCSA-N
XLogP0.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone (CID 126780795) is [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone is O=C([C@H]1C[C@H](F)CN1)N1CCN(CC2CCOCC2)CC1.
What is the InChIKey of [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is YGFDTZZVZAXZSI-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26FN3O2/c16-13-9-14(17-10-13)15(20)19-5-3-18(4-6-19)11-12-1-7-21-8-2-12/h12-14,17H,1-11H2/t13-,14+/m0/s1.
What are the key properties of [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone?
[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 299.39 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 126780795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).