1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol

C19H33FN2O2Si — CID 20785377

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol
SMILESCC(O)(CO[Si](C)(C)C(C)(C)C)c1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C19H33FN2O2Si/c1-18(2,3)25(5,6)24-14-19(4,23)15-7-8-16(20)17(13-15)22-11-9-21-10-12-22/h7-8,13,21,23H,9-12,14H2,1-6H3
InChIKeyIRSYBSCLPYHHEP-UHFFFAOYSA-N
MW368.57 g/mol
LogP3.46
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol (PubChem CID 20785377) has the molecular formula C19H33FN2O2Si and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol
PubChem CID20785377
Molecular FormulaC19H33FN2O2Si
Molecular Weight368.57 g/mol
Exact Mass368.23
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol
SMILESCC(O)(CO[Si](C)(C)C(C)(C)C)c1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C19H33FN2O2Si/c1-18(2,3)25(5,6)24-14-19(4,23)15-7-8-16(20)17(13-15)22-11-9-21-10-12-22/h7-8,13,21,23H,9-12,14H2,1-6H3
InChIKeyIRSYBSCLPYHHEP-UHFFFAOYSA-N
XLogP3.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol (CID 20785377) is 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol is CC(O)(CO[Si](C)(C)C(C)(C)C)c1ccc(F)c(N2CCNCC2)c1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol?
The InChIKey is IRSYBSCLPYHHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FN2O2Si/c1-18(2,3)25(5,6)24-14-19(4,23)15-7-8-16(20)17(13-15)22-11-9-21-10-12-22/h7-8,13,21,23H,9-12,14H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol has a molecular weight of 368.57 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol is sourced from PubChem (CID 20785377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).