[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol

C11H20F2N2O — CID 118303271

IUPAC[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCN1CCC(N2CC(F)(F)C[C@@H]2CO)CC1
InChIInChI=1S/C11H20F2N2O/c1-14-4-2-9(3-5-14)15-8-11(12,13)6-10(15)7-16/h9-10,16H,2-8H2,1H3/t10-/m1/s1
InChIKeyIURYMVMITUQFCG-SNVBAGLBSA-N
MW234.29 g/mol
LogP0.78
Rot. Bonds2

About [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol

[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 118303271) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID118303271
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCN1CCC(N2CC(F)(F)C[C@@H]2CO)CC1
InChIInChI=1S/C11H20F2N2O/c1-14-4-2-9(3-5-14)15-8-11(12,13)6-10(15)7-16/h9-10,16H,2-8H2,1H3/t10-/m1/s1
InChIKeyIURYMVMITUQFCG-SNVBAGLBSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol (CID 118303271) is [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol is CN1CCC(N2CC(F)(F)C[C@@H]2CO)CC1.
What is the InChIKey of [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is IURYMVMITUQFCG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-14-4-2-9(3-5-14)15-8-11(12,13)6-10(15)7-16/h9-10,16H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 234.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 118303271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).