1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol

C16H23N3O — CID 95857721

IUPAC1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
SMILESCC(C)c1[nH]c2ncccc2c1CN1CCC(O)CC1
InChIInChI=1S/C16H23N3O/c1-11(2)15-14(10-19-8-5-12(20)6-9-19)13-4-3-7-17-16(13)18-15/h3-4,7,11-12,20H,5-6,8-10H2,1-2H3,(H,17,18)
InChIKeyRBLNGGAGBYIUOO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.64
Rot. Bonds3

About 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol

1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol (PubChem CID 95857721) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
PubChem CID95857721
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
SMILESCC(C)c1[nH]c2ncccc2c1CN1CCC(O)CC1
InChIInChI=1S/C16H23N3O/c1-11(2)15-14(10-19-8-5-12(20)6-9-19)13-4-3-7-17-16(13)18-15/h3-4,7,11-12,20H,5-6,8-10H2,1-2H3,(H,17,18)
InChIKeyRBLNGGAGBYIUOO-UHFFFAOYSA-N
XLogP2.64
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 110234744
3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 95853365
(1S,5S)-3-(4-methylphenyl)-8-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98133184
(1R,5R)-3-(4-methoxyphenyl)-8-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98133189
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853347
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84672243
1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide
CID 95853346
2-tert-butyl-3-[(4-ethylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 95853278
(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol
CID 124802857
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84661488

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol (CID 95857721) is 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol is CC(C)c1[nH]c2ncccc2c1CN1CCC(O)CC1.
What is the InChIKey of 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol?
The InChIKey is RBLNGGAGBYIUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)15-14(10-19-8-5-12(20)6-9-19)13-4-3-7-17-16(13)18-15/h3-4,7,11-12,20H,5-6,8-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol?
1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol has a molecular weight of 273.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 95857721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).