trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride

C15H24ClF3N2OSi — CID 171176581

IUPACtrimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@H](N2CCNCC2)C(F)(F)F)cc1.Cl
InChIInChI=1S/C15H23F3N2OSi.ClH/c1-22(2,3)21-13-6-4-12(5-7-13)14(15(16,17)18)20-10-8-19-9-11-20;/h4-7,14,19H,8-11H2,1-3H3;1H/t14-;/m0./s1
InChIKeyUGGFICKJPRVSFY-UQKRIMTDSA-N
MW368.90 g/mol
LogP3.83
Rot. Bonds4

About trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride

trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride (PubChem CID 171176581) has the molecular formula C15H24ClF3N2OSi and a molecular weight of 368.90 g/mol. Its IUPAC name is trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride.

Molecular Properties

Compound Nametrimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride
PubChem CID171176581
Molecular FormulaC15H24ClF3N2OSi
Molecular Weight368.90 g/mol
Exact Mass368.13
IUPAC Nametrimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@H](N2CCNCC2)C(F)(F)F)cc1.Cl
InChIInChI=1S/C15H23F3N2OSi.ClH/c1-22(2,3)21-13-6-4-12(5-7-13)14(15(16,17)18)20-10-8-19-9-11-20;/h4-7,14,19H,8-11H2,1-3H3;1H/t14-;/m0./s1
InChIKeyUGGFICKJPRVSFY-UQKRIMTDSA-N
XLogP3.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.90
LogP ≤ 53.83
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

(3R)-2,2-difluoro-3-piperazin-1-yl-3-(4-trimethylsilyloxyphenyl)propan-1-ol;hydrochloride
CID 171179973
1-[(1S)-2,2,2-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171295848
1-[(1R)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171180299
[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171291647
1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine
CID 171179796
1-[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine
CID 171176906
1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178570
1-[(1S)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine;hydrochloride
CID 171177666
trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride
CID 171291643
1-[(1S)-2,2,2-trifluoro-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171293730
1-[(1R)-2,2,2-trifluoro-1-(4-methylsulfonylphenyl)ethyl]piperazine;hydrochloride
CID 171178302
1-[(1S)-1-(3,5-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171286289

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride?
The IUPAC name of trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride (CID 171176581) is trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride.
What is the SMILES notation for trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride?
The canonical SMILES for trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride is C[Si](C)(C)Oc1ccc([C@H](N2CCNCC2)C(F)(F)F)cc1.Cl.
What is the InChIKey of trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride?
The InChIKey is UGGFICKJPRVSFY-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H23F3N2OSi.ClH/c1-22(2,3)21-13-6-4-12(5-7-13)14(15(16,17)18)20-10-8-19-9-11-20;/h4-7,14,19H,8-11H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride?
trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride has a molecular weight of 368.90 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride is sourced from PubChem (CID 171176581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).