3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine

C20H24FN3O — CID 170614405

IUPAC3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC1CNCC(C)C1O.Fc1c[nH]c2nccc(-c3ccccc3)c12
InChIInChI=1S/C13H9FN2.C7H15NO/c14-11-8-16-13-12(11)10(6-7-15-13)9-4-2-1-3-5-9;1-5-3-8-4-6(2)7(5)9/h1-8H,(H,15,16);5-9H,3-4H2,1-2H3
InChIKeyBLSKYGUAZNHLBA-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.59
Rot. Bonds1

About 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine

3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170614405) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID170614405
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC1CNCC(C)C1O.Fc1c[nH]c2nccc(-c3ccccc3)c12
InChIInChI=1S/C13H9FN2.C7H15NO/c14-11-8-16-13-12(11)10(6-7-15-13)9-4-2-1-3-5-9;1-5-3-8-4-6(2)7(5)9/h1-8H,(H,15,16);5-9H,3-4H2,1-2H3
InChIKeyBLSKYGUAZNHLBA-UHFFFAOYSA-N
XLogP3.59
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol
CID 170437124
3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol
CID 170614482
4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 59411368
4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol
CID 170449405
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 168941486
4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
CID 170437249
2-amino-1-[(3R,5S)-4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methylphenyl]-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethanone
CID 170448917
[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
CID 170449805
4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol
CID 170614406
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
CID 5495813
3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67500514
[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 170449818

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 170614405) is 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine is CC1CNCC(C)C1O.Fc1c[nH]c2nccc(-c3ccccc3)c12.
What is the InChIKey of 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BLSKYGUAZNHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2.C7H15NO/c14-11-8-16-13-12(11)10(6-7-15-13)9-4-2-1-3-5-9;1-5-3-8-4-6(2)7(5)9/h1-8H,(H,15,16);5-9H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 341.43 g/mol, XLogP of 3.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).