[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride

C15H27Cl2FN2OSi — CID 171291647

IUPAC[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](CF)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C15H25FN2OSi.2ClH/c1-20(2,3)19-14-6-4-13(5-7-14)15(12-16)18-10-8-17-9-11-18;;/h4-7,15,17H,8-12H2,1-3H3;2*1H/t15-;;/m1../s1
InChIKeyDWLANXXTNHHGFJ-QCUBGVIVSA-N
MW369.38 g/mol
LogP3.66
Rot. Bonds5

About [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride

[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride (PubChem CID 171291647) has the molecular formula C15H27Cl2FN2OSi and a molecular weight of 369.38 g/mol. Its IUPAC name is [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride.

Molecular Properties

Compound Name[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
PubChem CID171291647
Molecular FormulaC15H27Cl2FN2OSi
Molecular Weight369.38 g/mol
Exact Mass368.13
IUPAC Name[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](CF)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C15H25FN2OSi.2ClH/c1-20(2,3)19-14-6-4-13(5-7-14)15(12-16)18-10-8-17-9-11-18;;/h4-7,15,17H,8-12H2,1-3H3;2*1H/t15-;;/m1../s1
InChIKeyDWLANXXTNHHGFJ-QCUBGVIVSA-N
XLogP3.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.66
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

trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171279039
trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171291668
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
trimethyl-[4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
trimethyl-[4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenoxy]silane
CID 171291672
1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171283231
1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182676
trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride
CID 171176581
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
1-[(1R)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride?
The IUPAC name of [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride (CID 171291647) is [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride.
What is the SMILES notation for [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride?
The canonical SMILES for [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride is C[Si](C)(C)Oc1ccc([C@@H](CF)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride?
The InChIKey is DWLANXXTNHHGFJ-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H25FN2OSi.2ClH/c1-20(2,3)19-14-6-4-13(5-7-14)15(12-16)18-10-8-17-9-11-18;;/h4-7,15,17H,8-12H2,1-3H3;2*1H/t15-;;/m1../s1.
What are the key properties of [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride?
[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride has a molecular weight of 369.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride is sourced from PubChem (CID 171291647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).