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

C20H28N4O — CID 128969366

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(Cc3ccc4c(c3)CCC4)C2)nn1
InChIInChI=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
InChIKeyXLRQLTOTEACRJZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.83
Rot. Bonds4

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 Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID128969366
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(Cc3ccc4c(c3)CCC4)C2)nn1
InChIInChI=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
InChIKeyXLRQLTOTEACRJZ-UHFFFAOYSA-N
XLogP2.83
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-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-(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).