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

C19H21N3O — CID 58172477

IUPAC1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol
SMILESOC1(c2c[nH]c3ncccc23)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21N3O/c23-19(17-12-21-18-16(17)8-4-10-20-18)9-5-11-22(14-19)13-15-6-2-1-3-7-15/h1-4,6-8,10,12,23H,5,9,11,13-14H2,(H,20,21)
InChIKeySXDVSPBBUNBJAA-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.05
Rot. Bonds3

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

1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol (PubChem CID 58172477) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol
PubChem CID58172477
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol
SMILESOC1(c2c[nH]c3ncccc23)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21N3O/c23-19(17-12-21-18-16(17)8-4-10-20-18)9-5-11-22(14-19)13-15-6-2-1-3-7-15/h1-4,6-8,10,12,23H,5,9,11,13-14H2,(H,20,21)
InChIKeySXDVSPBBUNBJAA-UHFFFAOYSA-N
XLogP3.05
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol?
The IUPAC name of 1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol (CID 58172477) is 1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol is OC1(c2c[nH]c3ncccc23)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol?
The InChIKey is SXDVSPBBUNBJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(17-12-21-18-16(17)8-4-10-20-18)9-5-11-22(14-19)13-15-6-2-1-3-7-15/h1-4,6-8,10,12,23H,5,9,11,13-14H2,(H,20,21).
What are the key properties of 1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol?
1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol has a molecular weight of 307.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-ol is sourced from PubChem (CID 58172477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).