tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate

C23H27N3O3 — CID 170437281

IUPACtert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccc(-c3ccnc4[nH]ccc34)cc2)CC1
InChIInChI=1S/C23H27N3O3/c1-22(2,3)29-21(27)26-14-10-23(28,11-15-26)17-6-4-16(5-7-17)18-8-12-24-20-19(18)9-13-25-20/h4-9,12-13,28H,10-11,14-15H2,1-3H3,(H,24,25)
InChIKeyHZVFUKNIGHOZBM-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.45
Rot. Bonds2

About tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate (PubChem CID 170437281) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate
PubChem CID170437281
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Nametert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccc(-c3ccnc4[nH]ccc34)cc2)CC1
InChIInChI=1S/C23H27N3O3/c1-22(2,3)29-21(27)26-14-10-23(28,11-15-26)17-6-4-16(5-7-17)18-8-12-24-20-19(18)9-13-25-20/h4-9,12-13,28H,10-11,14-15H2,1-3H3,(H,24,25)
InChIKeyHZVFUKNIGHOZBM-UHFFFAOYSA-N
XLogP4.45
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
tert-butyl 4-hydroxy-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-1-carboxylate
CID 140766642
tert-butyl 4-[4-[(4-fluorophenyl)methyl]phenyl]-4-hydroxypiperidine-1-carboxylate
CID 22599961
tert-butyl 4-hydroxy-4-[4-(methylsulfamoyl)phenyl]piperidine-1-carboxylate
CID 59465781
tert-butyl 4-hydroxy-4-[3-[6-(methylamino)-3-pyridinyl]-2-pyridinyl]piperidine-1-carboxylate
CID 175022119
1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
CID 175807639
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
tert-butyl 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 57477280
tert-butyl 4-(4-chloro-3-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 123559362
tert-butyl 4-[4-[6-amino-2-fluoro-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]phenyl]-4-hydroxypiperidine-1-carboxylate
CID 166094581
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl 4-(methylamino)piperidine-1-carboxylate;2-tert-butyl-4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;formaldehyde
CID 143647076

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate (CID 170437281) is tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(c2ccc(-c3ccnc4[nH]ccc34)cc2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate?
The InChIKey is HZVFUKNIGHOZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-22(2,3)29-21(27)26-14-10-23(28,11-15-26)17-6-4-16(5-7-17)18-8-12-24-20-19(18)9-13-25-20/h4-9,12-13,28H,10-11,14-15H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 170437281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).