1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol

C21H27N3O — CID 84595396

IUPAC1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
SMILESOC1(CNC2CCN(Cc3ccncc3)CC2)CCc2ccccc21
InChIInChI=1S/C21H27N3O/c25-21(10-5-18-3-1-2-4-20(18)21)16-23-19-8-13-24(14-9-19)15-17-6-11-22-12-7-17/h1-4,6-7,11-12,19,23,25H,5,8-10,13-16H2
InChIKeyLLGXABUTIFTFKV-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.47
Rot. Bonds5

About 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol

1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol (PubChem CID 84595396) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
PubChem CID84595396
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
SMILESOC1(CNC2CCN(Cc3ccncc3)CC2)CCc2ccccc21
InChIInChI=1S/C21H27N3O/c25-21(10-5-18-3-1-2-4-20(18)21)16-23-19-8-13-24(14-9-19)15-17-6-11-22-12-7-17/h1-4,6-7,11-12,19,23,25H,5,8-10,13-16H2
InChIKeyLLGXABUTIFTFKV-UHFFFAOYSA-N
XLogP2.47
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-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-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol (CID 84595396) is 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol is OC1(CNC2CCN(Cc3ccncc3)CC2)CCc2ccccc21.
What is the InChIKey of 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol?
The InChIKey is LLGXABUTIFTFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(10-5-18-3-1-2-4-20(18)21)16-23-19-8-13-24(14-9-19)15-17-6-11-22-12-7-17/h1-4,6-7,11-12,19,23,25H,5,8-10,13-16H2.
What are the key properties of 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol?
1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol has a molecular weight of 337.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 84595396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).