trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane

C17H25NSi — CID 154630620

IUPACtrimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C17H25NSi/c1-19(2,3)13-10-15-4-6-16(7-5-15)14-17-8-11-18-12-9-17/h4-7,17-18H,8-9,11-12,14H2,1-3H3
InChIKeyZJTBFMZGBBTCSO-UHFFFAOYSA-N
MW271.48 g/mol
LogP3.46
Rot. Bonds2

About trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane

trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane (PubChem CID 154630620) has the molecular formula C17H25NSi and a molecular weight of 271.48 g/mol. Its IUPAC name is trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane
PubChem CID154630620
Molecular FormulaC17H25NSi
Molecular Weight271.48 g/mol
Exact Mass271.18
IUPAC Nametrimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C17H25NSi/c1-19(2,3)13-10-15-4-6-16(7-5-15)14-17-8-11-18-12-9-17/h4-7,17-18H,8-9,11-12,14H2,1-3H3
InChIKeyZJTBFMZGBBTCSO-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-[(4-iodophenyl)methyl]azepane
CID 83262135
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
3-methyl-6-(piperidin-4-ylmethyl)quinoline
CID 116997415
4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole
CID 117394498
4-[[4-(difluoromethyl)phenyl]methyl]piperidine
CID 84689877
4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117405627

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane (CID 154630620) is trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1ccc(CC2CCNCC2)cc1.
What is the InChIKey of trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane?
The InChIKey is ZJTBFMZGBBTCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NSi/c1-19(2,3)13-10-15-4-6-16(7-5-15)14-17-8-11-18-12-9-17/h4-7,17-18H,8-9,11-12,14H2,1-3H3.
What are the key properties of trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane?
trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane has a molecular weight of 271.48 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane is sourced from PubChem (CID 154630620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).