trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride

C16H28Cl2N2OSi — CID 171291643

IUPACtrimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride
SMILESC=C[C@H](c1ccc(O[Si](C)(C)C)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2OSi.2ClH/c1-5-16(18-12-10-17-11-13-18)14-6-8-15(9-7-14)19-20(2,3)4;;/h5-9,16-17H,1,10-13H2,2-4H3;2*1H/t16-;;/m1../s1
InChIKeyNIRXYWKWVBPPCX-GGMCWBHBSA-N
MW363.41 g/mol
LogP3.88
Rot. Bonds5

About trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride

trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride (PubChem CID 171291643) has the molecular formula C16H28Cl2N2OSi and a molecular weight of 363.41 g/mol. Its IUPAC name is trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride.

Molecular Properties

Compound Nametrimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride
PubChem CID171291643
Molecular FormulaC16H28Cl2N2OSi
Molecular Weight363.41 g/mol
Exact Mass362.13
IUPAC Nametrimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride
SMILESC=C[C@H](c1ccc(O[Si](C)(C)C)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2OSi.2ClH/c1-5-16(18-12-10-17-11-13-18)14-6-8-15(9-7-14)19-20(2,3)4;;/h5-9,16-17H,1,10-13H2,2-4H3;2*1H/t16-;;/m1../s1
InChIKeyNIRXYWKWVBPPCX-GGMCWBHBSA-N
XLogP3.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenoxy]silane
CID 171291672
[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171291647
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171185
trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride
CID 171176581
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160
1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171285322
trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171279039
1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273419
trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171291668
trimethyl-[4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005
1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171294318

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride?
The IUPAC name of trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride (CID 171291643) is trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride.
What is the SMILES notation for trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride?
The canonical SMILES for trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride is C=C[C@H](c1ccc(O[Si](C)(C)C)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride?
The InChIKey is NIRXYWKWVBPPCX-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H26N2OSi.2ClH/c1-5-16(18-12-10-17-11-13-18)14-6-8-15(9-7-14)19-20(2,3)4;;/h5-9,16-17H,1,10-13H2,2-4H3;2*1H/t16-;;/m1../s1.
What are the key properties of trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride?
trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride has a molecular weight of 363.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride is sourced from PubChem (CID 171291643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).