1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol

C25H23F2N3O2 — CID 59238932

IUPAC1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol
SMILESOC1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1
InChIInChI=1S/C25H23F2N3O2/c26-14-1-3-21-17(11-14)19-13-20-18-12-15(27)2-4-22(18)29-24(20)25(23(19)28-21)32-10-9-30-7-5-16(31)6-8-30/h1-4,11-13,16,28-29,31H,5-10H2
InChIKeyHMTDRDYYQLHWFX-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.07
Rot. Bonds4

About 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol

1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol (PubChem CID 59238932) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol
PubChem CID59238932
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC Name1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol
SMILESOC1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1
InChIInChI=1S/C25H23F2N3O2/c26-14-1-3-21-17(11-14)19-13-20-18-12-15(27)2-4-22(18)29-24(20)25(23(19)28-21)32-10-9-30-7-5-16(31)6-8-30/h1-4,11-13,16,28-29,31H,5-10H2
InChIKeyHMTDRDYYQLHWFX-UHFFFAOYSA-N
XLogP5.07
TPSA64.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol (CID 59238932) is 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol is OC1CCN(CCOc2c3[nH]c4ccc(F)cc4c3cc3c2[nH]c2ccc(F)cc23)CC1.
What is the InChIKey of 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol?
The InChIKey is HMTDRDYYQLHWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c26-14-1-3-21-17(11-14)19-13-20-18-12-15(27)2-4-22(18)29-24(20)25(23(19)28-21)32-10-9-30-7-5-16(31)6-8-30/h1-4,11-13,16,28-29,31H,5-10H2.
What are the key properties of 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol?
1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol has a molecular weight of 435.47 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]piperidin-4-ol is sourced from PubChem (CID 59238932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).