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

C12H22F2N2O — CID 118303296

IUPAC1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCC(O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1
InChIInChI=1S/C12H22F2N2O/c1-9(17)11-7-12(13,14)8-16(11)10-3-5-15(2)6-4-10/h9-11,17H,3-8H2,1-2H3/t9?,11-/m1/s1
InChIKeyKTVGILDRBILWEK-HCCKASOXSA-N
MW248.32 g/mol
LogP1.17
Rot. Bonds2

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

1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol (PubChem CID 118303296) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol
PubChem CID118303296
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCC(O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1
InChIInChI=1S/C12H22F2N2O/c1-9(17)11-7-12(13,14)8-16(11)10-3-5-15(2)6-4-10/h9-11,17H,3-8H2,1-2H3/t9?,11-/m1/s1
InChIKeyKTVGILDRBILWEK-HCCKASOXSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol (CID 118303296) is 1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol is CC(O)[C@H]1CC(F)(F)CN1C1CCN(C)CC1.
What is the InChIKey of 1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol?
The InChIKey is KTVGILDRBILWEK-HCCKASOXSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-9(17)11-7-12(13,14)8-16(11)10-3-5-15(2)6-4-10/h9-11,17H,3-8H2,1-2H3/t9?,11-/m1/s1.
What are the key properties of 1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol?
1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol has a molecular weight of 248.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 118303296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).