1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C20H26N4O2 — CID 128979048

IUPAC1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCc1oc2ccccc2c1CN1CCCC(O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C20H26N4O2/c1-14(2)24-12-19(21-22-24)20(25)9-6-10-23(13-20)11-17-15(3)26-18-8-5-4-7-16(17)18/h4-5,7-8,12,14,25H,6,9-11,13H2,1-3H3
InChIKeyFEYPVJGLQXPLDN-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.40
Rot. Bonds4

About 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 128979048) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID128979048
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCc1oc2ccccc2c1CN1CCCC(O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C20H26N4O2/c1-14(2)24-12-19(21-22-24)20(25)9-6-10-23(13-20)11-17-15(3)26-18-8-5-4-7-16(17)18/h4-5,7-8,12,14,25H,6,9-11,13H2,1-3H3
InChIKeyFEYPVJGLQXPLDN-UHFFFAOYSA-N
XLogP3.40
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methyl-1-benzofuran-3-yl)methyl]-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-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 128979048) is 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is Cc1oc2ccccc2c1CN1CCCC(O)(c2cn(C(C)C)nn2)C1.
What is the InChIKey of 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is FEYPVJGLQXPLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(2)24-12-19(21-22-24)20(25)9-6-10-23(13-20)11-17-15(3)26-18-8-5-4-7-16(17)18/h4-5,7-8,12,14,25H,6,9-11,13H2,1-3H3.
What are the key properties of 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 354.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128979048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).