[(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate

C15H26FN3O3 — CID 142272913

IUPAC[(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate
SMILESO=C(OC[C@H]1CCC[C@@H](F)N1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H26FN3O3/c16-14-3-1-2-12(17-14)11-22-15(20)19-5-4-13(10-19)18-6-8-21-9-7-18/h12-14,17H,1-11H2/t12-,13?,14+/m1/s1
InChIKeyHGSSTWQKYDKSOH-YIOYIWSBSA-N
MW315.39 g/mol
LogP0.97
Rot. Bonds3

About [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate

[(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate (PubChem CID 142272913) has the molecular formula C15H26FN3O3 and a molecular weight of 315.39 g/mol. Its IUPAC name is [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate
PubChem CID142272913
Molecular FormulaC15H26FN3O3
Molecular Weight315.39 g/mol
Exact Mass315.20
IUPAC Name[(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate
SMILESO=C(OC[C@H]1CCC[C@@H](F)N1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H26FN3O3/c16-14-3-1-2-12(17-14)11-22-15(20)19-5-4-13(10-19)18-6-8-21-9-7-18/h12-14,17H,1-11H2/t12-,13?,14+/m1/s1
InChIKeyHGSSTWQKYDKSOH-YIOYIWSBSA-N
XLogP0.97
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate?
The IUPAC name of [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate (CID 142272913) is [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate?
The canonical SMILES for [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate is O=C(OC[C@H]1CCC[C@@H](F)N1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate?
The InChIKey is HGSSTWQKYDKSOH-YIOYIWSBSA-N. The full InChI is InChI=1S/C15H26FN3O3/c16-14-3-1-2-12(17-14)11-22-15(20)19-5-4-13(10-19)18-6-8-21-9-7-18/h12-14,17H,1-11H2/t12-,13?,14+/m1/s1.
What are the key properties of [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate?
[(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate has a molecular weight of 315.39 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-fluoropiperidin-2-yl]methyl 3-morpholin-4-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 142272913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).