2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol

C12H22F2N2O — CID 118295184

IUPAC2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C12H22F2N2O/c1-11(2,17)10-7-12(13,14)8-16(10)9-3-5-15-6-4-9/h9-10,15,17H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyIKGCGGJGBXNQBD-SNVBAGLBSA-N
MW248.32 g/mol
LogP1.22
Rot. Bonds2

About 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol

2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol (PubChem CID 118295184) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol
PubChem CID118295184
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C12H22F2N2O/c1-11(2,17)10-7-12(13,14)8-16(10)9-3-5-15-6-4-9/h9-10,15,17H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyIKGCGGJGBXNQBD-SNVBAGLBSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol (CID 118295184) is 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol is CC(C)(O)[C@H]1CC(F)(F)CN1C1CCNCC1.
What is the InChIKey of 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is IKGCGGJGBXNQBD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-11(2,17)10-7-12(13,14)8-16(10)9-3-5-15-6-4-9/h9-10,15,17H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol?
2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 248.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 118295184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).