[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane

C17H29N3Si — CID 103438191

IUPAC[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(CN2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C17H29N3Si/c1-21(2,3)17-6-4-15(5-7-17)14-19-8-10-20(11-9-19)16-12-18-13-16/h4-7,16,18H,8-14H2,1-3H3
InChIKeyKAQQNBRBXGGWHE-UHFFFAOYSA-N
MW303.53 g/mol
LogP1.32
Rot. Bonds4

About [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane

[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane (PubChem CID 103438191) has the molecular formula C17H29N3Si and a molecular weight of 303.53 g/mol. Its IUPAC name is [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane
PubChem CID103438191
Molecular FormulaC17H29N3Si
Molecular Weight303.53 g/mol
Exact Mass303.21
IUPAC Name[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(CN2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C17H29N3Si/c1-21(2,3)17-6-4-15(5-7-17)14-19-8-10-20(11-9-19)16-12-18-13-16/h4-7,16,18H,8-14H2,1-3H3
InChIKeyKAQQNBRBXGGWHE-UHFFFAOYSA-N
XLogP1.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.53
LogP ≤ 51.32
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

[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438353
[4-[(2,6-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438168
1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 66202694
1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 66202514
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708
[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438167
1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile
CID 100718936
2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 66203343
1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine
CID 66202696
1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
CID 125118230

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane (CID 103438191) is [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(CN2CCN(C3CNC3)CC2)cc1.
What is the InChIKey of [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane?
The InChIKey is KAQQNBRBXGGWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3Si/c1-21(2,3)17-6-4-15(5-7-17)14-19-8-10-20(11-9-19)16-12-18-13-16/h4-7,16,18H,8-14H2,1-3H3.
What are the key properties of [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane?
[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane has a molecular weight of 303.53 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane is sourced from PubChem (CID 103438191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).