(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane

C62H97N6O2PSi2 — CID 158765372

About (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane

(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane (PubChem CID 158765372) has the molecular formula C62H97N6O2PSi2 and a molecular weight of 1046.65 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane.

Molecular Properties

• Compound Name: (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane
• PubChem CID: 158765372
• Molecular Formula: C62H97N6O2PSi2
• Molecular Weight: 1046.65 g/mol
• Exact Mass: 1045.70
• IUPAC Name: (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane
• SMILES: C.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)C1CCN(Cc2ccccc2)CC1.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(O)C1CCN(Cc2ccccc2)CC1.[2H]CP
• InChI: InChI=1S/C30H45N3OSi.C30H43N3OSi.CH5P.CH4/c2*1-21(2)35(22(3)4,23(5)6)33-18-15-27-28(24(7)19-31-30(27)33)29(34)26-13-16-32(17-14-26)20-25-11-9-8-10-12-25;1-2;/h8-12,15,18-19,21-23,26,29,34H,13-14,16-17,20H2,1-7H3;8-12,15,18-19,21-23,26H,13-14,16-17,20H2,1-7H3;2H2,1H3;1H4/i;;1D
• InChIKey: IPEPUDDYUBEPIK-XZVVQQHRSA-N
• XLogP: 15.90
• TPSA: 79.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.65
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane?

The IUPAC name of (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane (CID 158765372) is (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane.

What is the SMILES notation for (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane?

The canonical SMILES for (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane is C.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)C1CCN(Cc2ccccc2)CC1.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C(O)C1CCN(Cc2ccccc2)CC1.[2H]CP.

What is the InChIKey of (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane?

The InChIKey is IPEPUDDYUBEPIK-XZVVQQHRSA-N. The full InChI is InChI=1S/C30H45N3OSi.C30H43N3OSi.CH5P.CH4/c2*1-21(2)35(22(3)4,23(5)6)33-18-15-27-28(24(7)19-31-30(27)33)29(34)26-13-16-32(17-14-26)20-25-11-9-8-10-12-25;1-2;/h8-12,15,18-19,21-23,26,29,34H,13-14,16-17,20H2,1-7H3;8-12,15,18-19,21-23,26H,13-14,16-17,20H2,1-7H3;2H2,1H3;1H4/i;;1D;.

What are the key properties of (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane?

(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane has a molecular weight of 1046.65 g/mol, XLogP of 15.90, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol;(1-benzylpiperidin-4-yl)-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanone;deuteriomethylphosphane;methane is sourced from PubChem (CID 158765372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).