5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one

C10H16F2N2O2 — CID 106492994

IUPAC5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one
SMILESNC1CCN(CC2CC(F)(F)C(=O)O2)CC1
InChIInChI=1S/C10H16F2N2O2/c11-10(12)5-8(16-9(10)15)6-14-3-1-7(13)2-4-14/h7-8H,1-6,13H2
InChIKeyDENUVLMDBXGHEO-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.36
Rot. Bonds2

About 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one

5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492994) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492994
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one
SMILESNC1CCN(CC2CC(F)(F)C(=O)O2)CC1
InChIInChI=1S/C10H16F2N2O2/c11-10(12)5-8(16-9(10)15)6-14-3-1-7(13)2-4-14/h7-8H,1-6,13H2
InChIKeyDENUVLMDBXGHEO-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one (CID 106492994) is 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one is NC1CCN(CC2CC(F)(F)C(=O)O2)CC1.
What is the InChIKey of 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is DENUVLMDBXGHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-10(12)5-8(16-9(10)15)6-14-3-1-7(13)2-4-14/h7-8H,1-6,13H2.
What are the key properties of 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one?
5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one has a molecular weight of 234.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopiperidin-1-yl)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).