1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane

C22H31FN2OSi — CID 67718389

IUPAC1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane
SMILESCCCC(F)[Si](OCC1CNC(C)CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31FN2OSi/c1-3-10-22(23)27(20-11-6-4-7-12-20,21-13-8-5-9-14-21)26-17-19-16-24-18(2)15-25-19/h4-9,11-14,18-19,22,24-25H,3,10,15-17H2,1-2H3
InChIKeyKBKPGFBNKLGVIQ-UHFFFAOYSA-N
MW386.59 g/mol
LogP2.39
Rot. Bonds8

About 1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane

1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane (PubChem CID 67718389) has the molecular formula C22H31FN2OSi and a molecular weight of 386.59 g/mol. Its IUPAC name is 1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Name1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane
PubChem CID67718389
Molecular FormulaC22H31FN2OSi
Molecular Weight386.59 g/mol
Exact Mass386.22
IUPAC Name1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane
SMILESCCCC(F)[Si](OCC1CNC(C)CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31FN2OSi/c1-3-10-22(23)27(20-11-6-4-7-12-20,21-13-8-5-9-14-21)26-17-19-16-24-18(2)15-25-19/h4-9,11-14,18-19,22,24-25H,3,10,15-17H2,1-2H3
InChIKeyKBKPGFBNKLGVIQ-UHFFFAOYSA-N
XLogP2.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane?
The IUPAC name of 1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane (CID 67718389) is 1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane.
What is the SMILES notation for 1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane?
The canonical SMILES for 1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane is CCCC(F)[Si](OCC1CNC(C)CN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane?
The InChIKey is KBKPGFBNKLGVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2OSi/c1-3-10-22(23)27(20-11-6-4-7-12-20,21-13-8-5-9-14-21)26-17-19-16-24-18(2)15-25-19/h4-9,11-14,18-19,22,24-25H,3,10,15-17H2,1-2H3.
What are the key properties of 1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane?
1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane has a molecular weight of 386.59 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 67718389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).