trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane

C18H32N2OSi — CID 171291668

IUPACtrimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane
SMILESCC(C)C[C@H](c1ccc(O[Si](C)(C)C)cc1)N1CCNCC1
InChIInChI=1S/C18H32N2OSi/c1-15(2)14-18(20-12-10-19-11-13-20)16-6-8-17(9-7-16)21-22(3,4)5/h6-9,15,18-19H,10-14H2,1-5H3/t18-/m1/s1
InChIKeyHMRRQILRRDTBBO-GOSISDBHSA-N
MW320.55 g/mol
LogP3.89
Rot. Bonds6

About trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane

trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane (PubChem CID 171291668) has the molecular formula C18H32N2OSi and a molecular weight of 320.55 g/mol. Its IUPAC name is trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane
PubChem CID171291668
Molecular FormulaC18H32N2OSi
Molecular Weight320.55 g/mol
Exact Mass320.23
IUPAC Nametrimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane
SMILESCC(C)C[C@H](c1ccc(O[Si](C)(C)C)cc1)N1CCNCC1
InChIInChI=1S/C18H32N2OSi/c1-15(2)14-18(20-12-10-19-11-13-20)16-6-8-17(9-7-16)21-22(3,4)5/h6-9,15,18-19H,10-14H2,1-5H3/t18-/m1/s1
InChIKeyHMRRQILRRDTBBO-GOSISDBHSA-N
XLogP3.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 53.89
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-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005
[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171291647
trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171279039
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171278259
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042
1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
CID 171170906
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
trimethyl-[4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenoxy]silane
CID 171291672
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
CID 82308912
1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride
CID 171171217
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane?
The IUPAC name of trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane (CID 171291668) is trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane.
What is the SMILES notation for trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane?
The canonical SMILES for trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane is CC(C)C[C@H](c1ccc(O[Si](C)(C)C)cc1)N1CCNCC1.
What is the InChIKey of trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane?
The InChIKey is HMRRQILRRDTBBO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H32N2OSi/c1-15(2)14-18(20-12-10-19-11-13-20)16-6-8-17(9-7-16)21-22(3,4)5/h6-9,15,18-19H,10-14H2,1-5H3/t18-/m1/s1.
What are the key properties of trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane?
trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane has a molecular weight of 320.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane is sourced from PubChem (CID 171291668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).