trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane

C17H30N2OSi — CID 171279039

IUPACtrimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
SMILESCCC[C@@H](c1ccc(O[Si](C)(C)C)cc1)N1CCNCC1
InChIInChI=1S/C17H30N2OSi/c1-5-6-17(19-13-11-18-12-14-19)15-7-9-16(10-8-15)20-21(2,3)4/h7-10,17-18H,5-6,11-14H2,1-4H3/t17-/m0/s1
InChIKeyOFCKJFHPKHVLHW-KRWDZBQOSA-N
MW306.53 g/mol
LogP3.65
Rot. Bonds6

About trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane

trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane (PubChem CID 171279039) has the molecular formula C17H30N2OSi and a molecular weight of 306.53 g/mol. Its IUPAC name is trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
PubChem CID171279039
Molecular FormulaC17H30N2OSi
Molecular Weight306.53 g/mol
Exact Mass306.21
IUPAC Nametrimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
SMILESCCC[C@@H](c1ccc(O[Si](C)(C)C)cc1)N1CCNCC1
InChIInChI=1S/C17H30N2OSi/c1-5-6-17(19-13-11-18-12-14-19)15-7-9-16(10-8-15)20-21(2,3)4/h7-10,17-18H,5-6,11-14H2,1-4H3/t17-/m0/s1
InChIKeyOFCKJFHPKHVLHW-KRWDZBQOSA-N
XLogP3.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(1R)-1-piperazin-1-ylpent-4-enyl]phenoxy]silane
CID 171291672
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)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171272714
1-[(1R)-1-(4-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307483
trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride
CID 171176581
trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride
CID 171291643

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane?
The IUPAC name of trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane (CID 171279039) is trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane.
What is the SMILES notation for trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane?
The canonical SMILES for trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane is CCC[C@@H](c1ccc(O[Si](C)(C)C)cc1)N1CCNCC1.
What is the InChIKey of trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane?
The InChIKey is OFCKJFHPKHVLHW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H30N2OSi/c1-5-6-17(19-13-11-18-12-14-19)15-7-9-16(10-8-15)20-21(2,3)4/h7-10,17-18H,5-6,11-14H2,1-4H3/t17-/m0/s1.
What are the key properties of trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane?
trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane has a molecular weight of 306.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane is sourced from PubChem (CID 171279039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).