1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol

C25H24F2N2O — CID 90279945

IUPAC1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2cccc(-n3c4ccc(F)cc4c4cc(F)ccc43)c2)CC1
InChIInChI=1S/C25H24F2N2O/c26-18-4-6-24-22(15-18)23-16-19(27)5-7-25(23)29(24)20-3-1-2-17(14-20)8-11-28-12-9-21(30)10-13-28/h1-7,14-16,21,30H,8-13H2
InChIKeyHGSAAAIFKOWRJA-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.06
Rot. Bonds4

About 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol

1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol (PubChem CID 90279945) has the molecular formula C25H24F2N2O and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol
PubChem CID90279945
Molecular FormulaC25H24F2N2O
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2cccc(-n3c4ccc(F)cc4c4cc(F)ccc43)c2)CC1
InChIInChI=1S/C25H24F2N2O/c26-18-4-6-24-22(15-18)23-16-19(27)5-7-25(23)29(24)20-3-1-2-17(14-20)8-11-28-12-9-21(30)10-13-28/h1-7,14-16,21,30H,8-13H2
InChIKeyHGSAAAIFKOWRJA-UHFFFAOYSA-N
XLogP5.06
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol (CID 90279945) is 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol is OC1CCN(CCc2cccc(-n3c4ccc(F)cc4c4cc(F)ccc43)c2)CC1.
What is the InChIKey of 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol?
The InChIKey is HGSAAAIFKOWRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O/c26-18-4-6-24-22(15-18)23-16-19(27)5-7-25(23)29(24)20-3-1-2-17(14-20)8-11-28-12-9-21(30)10-13-28/h1-7,14-16,21,30H,8-13H2.
What are the key properties of 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol?
1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol has a molecular weight of 406.48 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 90279945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).