tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane

C19H31FN2OSi — CID 20785349

IUPACtert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(F)c(N3CCNCC3)c2)CC1
InChIInChI=1S/C19H31FN2OSi/c1-18(2,3)24(4,5)23-19(8-9-19)15-6-7-16(20)17(14-15)22-12-10-21-11-13-22/h6-7,14,21H,8-13H2,1-5H3
InChIKeyMGUJNDZSWXPDTD-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.25
Rot. Bonds4

About tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane

tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane (PubChem CID 20785349) has the molecular formula C19H31FN2OSi and a molecular weight of 350.55 g/mol. Its IUPAC name is tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane
PubChem CID20785349
Molecular FormulaC19H31FN2OSi
Molecular Weight350.55 g/mol
Exact Mass350.22
IUPAC Nametert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(F)c(N3CCNCC3)c2)CC1
InChIInChI=1S/C19H31FN2OSi/c1-18(2,3)24(4,5)23-19(8-9-19)15-6-7-16(20)17(14-15)22-12-10-21-11-13-22/h6-7,14,21H,8-13H2,1-5H3
InChIKeyMGUJNDZSWXPDTD-UHFFFAOYSA-N
XLogP4.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-Fluoro-5-(1-methoxyethyl)phenyl]piperazine
CID 20785279
1-[2-Fluoro-5-(methoxymethyl)phenyl]piperazine
CID 20785286
1-(2-Fluoro-5-piperazin-1-ylphenyl)ethanol
CID 20785288
1-(4-Fluoro-3-piperazin-1-ylphenyl)propan-1-ol
CID 20785352
1-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol
CID 20785377
2-(4-Fluoro-3-piperazin-1-ylphenyl)propan-2-ol
CID 20785413
Cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol
CID 20785609
Tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane
CID 20785610
tert-butyl-[(1S)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethoxy]-dimethylsilane
CID 60003829
(R)-cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol
CID 60003838
tert-butyl-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethoxy]-dimethylsilane
CID 60003840
tert-butyl-[(S)-cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane
CID 60003843

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane (CID 20785349) is tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1(c2ccc(F)c(N3CCNCC3)c2)CC1.
What is the InChIKey of tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane?
The InChIKey is MGUJNDZSWXPDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2OSi/c1-18(2,3)24(4,5)23-19(8-9-19)15-6-7-16(20)17(14-15)22-12-10-21-11-13-22/h6-7,14,21H,8-13H2,1-5H3.
What are the key properties of tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane?
tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane has a molecular weight of 350.55 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(4-fluoro-3-piperazin-1-ylphenyl)cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 20785349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).