[1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H24F2N2O3 — CID 24856506

IUPAC[1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OC1CCCN(c2ccc(F)cc2F)C1)N1C2CCC1CC(O)C2
InChIInChI=1S/C19H24F2N2O3/c20-12-3-6-18(17(21)8-12)22-7-1-2-16(11-22)26-19(25)23-13-4-5-14(23)10-15(24)9-13/h3,6,8,13-16,24H,1-2,4-5,7,9-11H2
InChIKeyAHXIWIWMPRCLEC-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.06
Rot. Bonds2

About [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

[1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 24856506) has the molecular formula C19H24F2N2O3 and a molecular weight of 366.41 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID24856506
Molecular FormulaC19H24F2N2O3
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name[1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OC1CCCN(c2ccc(F)cc2F)C1)N1C2CCC1CC(O)C2
InChIInChI=1S/C19H24F2N2O3/c20-12-3-6-18(17(21)8-12)22-7-1-2-16(11-22)26-19(25)23-13-4-5-14(23)10-15(24)9-13/h3,6,8,13-16,24H,1-2,4-5,7,9-11H2
InChIKeyAHXIWIWMPRCLEC-UHFFFAOYSA-N
XLogP3.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 24856506) is [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(OC1CCCN(c2ccc(F)cc2F)C1)N1C2CCC1CC(O)C2.
What is the InChIKey of [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is AHXIWIWMPRCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O3/c20-12-3-6-18(17(21)8-12)22-7-1-2-16(11-22)26-19(25)23-13-4-5-14(23)10-15(24)9-13/h3,6,8,13-16,24H,1-2,4-5,7,9-11H2.
What are the key properties of [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
[1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 366.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 24856506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).