3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane

C19H33FN2Si — CID 67899963

IUPAC3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane
SMILESCCCCN1CCN(CCC[Si](C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H33FN2Si/c1-4-5-11-21-13-15-22(16-14-21)12-6-17-23(2,3)19-9-7-18(20)8-10-19/h7-10H,4-6,11-17H2,1-3H3
InChIKeyQSXNFZVHPBTXEX-UHFFFAOYSA-N
MW336.57 g/mol
LogP3.55
Rot. Bonds8

About 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane

3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane (PubChem CID 67899963) has the molecular formula C19H33FN2Si and a molecular weight of 336.57 g/mol. Its IUPAC name is 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane.

Molecular Properties

Compound Name3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane
PubChem CID67899963
Molecular FormulaC19H33FN2Si
Molecular Weight336.57 g/mol
Exact Mass336.24
IUPAC Name3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane
SMILESCCCCN1CCN(CCC[Si](C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H33FN2Si/c1-4-5-11-21-13-15-22(16-14-21)12-6-17-23(2,3)19-9-7-18(20)8-10-19/h7-10H,4-6,11-17H2,1-3H3
InChIKeyQSXNFZVHPBTXEX-UHFFFAOYSA-N
XLogP3.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
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6-butyl-2-(2,4-difluorophenyl)-1,3,6,2-dioxazaborocane
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CID 59254947
6-butyl-2-(3,5-difluorophenyl)-1,3,6,2-dioxazaborocane
CID 74889309
4-[4-[4-[butyl(dimethyl)silyl]phenyl]phenyl]phenol
CID 153277090
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
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1-octylaziridine
CID 544653

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane?
The IUPAC name of 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane (CID 67899963) is 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane.
What is the SMILES notation for 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane?
The canonical SMILES for 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane is CCCCN1CCN(CCC[Si](C)(C)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane?
The InChIKey is QSXNFZVHPBTXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FN2Si/c1-4-5-11-21-13-15-22(16-14-21)12-6-17-23(2,3)19-9-7-18(20)8-10-19/h7-10H,4-6,11-17H2,1-3H3.
What are the key properties of 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane?
3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane has a molecular weight of 336.57 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylpiperazin-1-yl)propyl-(4-fluorophenyl)-dimethylsilane is sourced from PubChem (CID 67899963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).