2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol

C20H25N3O — CID 75444811

IUPAC2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
SMILESCc1cccc(NC2CCN(C3Cc4ccccc4C3O)CC2)n1
InChIInChI=1S/C20H25N3O/c1-14-5-4-8-19(21-14)22-16-9-11-23(12-10-16)18-13-15-6-2-3-7-17(15)20(18)24/h2-8,16,18,20,24H,9-13H2,1H3,(H,21,22)
InChIKeyXZKASDNNMMHGNO-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.92
Rot. Bonds3

About 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol

2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 75444811) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
PubChem CID75444811
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
SMILESCc1cccc(NC2CCN(C3Cc4ccccc4C3O)CC2)n1
InChIInChI=1S/C20H25N3O/c1-14-5-4-8-19(21-14)22-16-9-11-23(12-10-16)18-13-15-6-2-3-7-17(15)20(18)24/h2-8,16,18,20,24H,9-13H2,1H3,(H,21,22)
InChIKeyXZKASDNNMMHGNO-UHFFFAOYSA-N
XLogP2.92
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol (CID 75444811) is 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol is Cc1cccc(NC2CCN(C3Cc4ccccc4C3O)CC2)n1.
What is the InChIKey of 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is XZKASDNNMMHGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-5-4-8-19(21-14)22-16-9-11-23(12-10-16)18-13-15-6-2-3-7-17(15)20(18)24/h2-8,16,18,20,24H,9-13H2,1H3,(H,21,22).
What are the key properties of 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol?
2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 323.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 75444811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).