1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C20H28N4O — CID 128969366

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 128969366) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
• PubChem CID: 128969366
• Molecular Formula: C20H28N4O
• Molecular Weight: 340.47 g/mol
• Exact Mass: 340.23
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
• SMILES: CC(C)n1cc(C2(O)CCCN(Cc3ccc4c(c3)CCC4)C2)nn1
• InChI: InChI=1S/C20H28N4O/c1-15(2)24-13-19(21-22-24)20(25)9-4-10-23(14-20)12-16-7-8-17-5-3-6-18(17)11-16/h7-8,11,13,15,25H,3-6,9-10,12,14H2,1-2H3
• InChIKey: XLRQLTOTEACRJZ-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.47
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 128969366) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)n1cc(C2(O)CCCN(Cc3ccc4c(c3)CCC4)C2)nn1.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The InChIKey is XLRQLTOTEACRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(2)24-13-19(21-22-24)20(25)9-4-10-23(14-20)12-16-7-8-17-5-3-6-18(17)11-16/h7-8,11,13,15,25H,3-6,9-10,12,14H2,1-2H3.

What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 340.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128969366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).