tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C62H87ClF2N16O2Si2 — CID 158166340

About tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 158166340) has the molecular formula C62H87ClF2N16O2Si2 and a molecular weight of 1218.11 g/mol. Its IUPAC name is tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

• Compound Name: tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• PubChem CID: 158166340
• Molecular Formula: C62H87ClF2N16O2Si2
• Molecular Weight: 1218.11 g/mol
• Exact Mass: 1216.64
• IUPAC Name: tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• SMILES: CC(C)(C)[Si](C)(C)OCCN1CCN(c2ccc(Cl)nc2)CC1.CC(C)(C)[Si](C)(C)OCCN1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1.Nc1ncc2c3ccnc(F)c3n(C3CCCC3)c2n1
• InChI: InChI=1S/C31H43FN8OSi.C17H30ClN3OSi.C14H14FN5/c1-31(2,3)42(4,5)41-19-18-38-14-16-39(17-15-38)23-10-11-26(34-20-23)36-30-35-21-25-24-12-13-33-28(32)27(24)40(29(25)37-30)22-8-6-7-9-22;1-17(2,3)23(4,5)22-13-12-20-8-10-21(11-9-20)15-6-7-16(18)19-14-15;15-12-11-9(5-6-17-12)10-7-18-14(16)19-13(10)20(11)8-3-1-2-4-8/h10-13,20-22H,6-9,14-19H2,1-5H3,(H,34,35,36,37);6-7,14H,8-13H2,1-5H3;5-8H,1-4H2,(H2,16,18,19)
• InChIKey: FWWQOTNFSRKJQW-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 182.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1218.11
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The IUPAC name of tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 158166340) is tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

What is the SMILES notation for tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The canonical SMILES for tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CC(C)(C)[Si](C)(C)OCCN1CCN(c2ccc(Cl)nc2)CC1.CC(C)(C)[Si](C)(C)OCCN1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1.Nc1ncc2c3ccnc(F)c3n(C3CCCC3)c2n1.

What is the InChIKey of tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The InChIKey is FWWQOTNFSRKJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43FN8OSi.C17H30ClN3OSi.C14H14FN5/c1-31(2,3)42(4,5)41-19-18-38-14-16-39(17-15-38)23-10-11-26(34-20-23)36-30-35-21-25-24-12-13-33-28(32)27(24)40(29(25)37-30)22-8-6-7-9-22;1-17(2,3)23(4,5)22-13-12-20-8-10-21(11-9-20)15-6-7-16(18)19-14-15;15-12-11-9(5-6-17-12)10-7-18-14(16)19-13(10)20(11)8-3-1-2-4-8/h10-13,20-22H,6-9,14-19H2,1-5H3,(H,34,35,36,37);6-7,14H,8-13H2,1-5H3;5-8H,1-4H2,(H2,16,18,19).

What are the key properties of tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 1218.11 g/mol, XLogP of 13.21, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]ethoxy]-dimethylsilane;N-[5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-pyridinyl]-8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 158166340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).