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

C12H23ClF2N2O — CID 118295183

IUPAC2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(C)(O)[C@H]1CC(F)(F)CN1C1CCNCC1.Cl
InChIInChI=1S/C12H22F2N2O.ClH/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;1H/t10-;/m1./s1
InChIKeyPYULLLVKJHZZTL-HNCPQSOCSA-N
MW284.78 g/mol
LogP1.64
Rot. Bonds2

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

2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride (PubChem CID 118295183) has the molecular formula C12H23ClF2N2O and a molecular weight of 284.78 g/mol. Its IUPAC name is 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride
PubChem CID118295183
Molecular FormulaC12H23ClF2N2O
Molecular Weight284.78 g/mol
Exact Mass284.15
IUPAC Name2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(C)(O)[C@H]1CC(F)(F)CN1C1CCNCC1.Cl
InChIInChI=1S/C12H22F2N2O.ClH/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;1H/t10-;/m1./s1
InChIKeyPYULLLVKJHZZTL-HNCPQSOCSA-N
XLogP1.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 51.64
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;hydrochloride?
The IUPAC name of 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride (CID 118295183) is 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride is CC(C)(O)[C@H]1CC(F)(F)CN1C1CCNCC1.Cl.
What is the InChIKey of 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride?
The InChIKey is PYULLLVKJHZZTL-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H22F2N2O.ClH/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;1H/t10-;/m1./s1.
What are the key properties of 2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride?
2-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]propan-2-ol;hydrochloride has a molecular weight of 284.78 g/mol, XLogP of 1.64, 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;hydrochloride is sourced from PubChem (CID 118295183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).