1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile

C16H24N2Si — CID 100718936

IUPAC1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile
SMILESC[Si](C)(C)c1ccc(CN2CCC(C#N)CC2)cc1
InChIInChI=1S/C16H24N2Si/c1-19(2,3)16-6-4-15(5-7-16)13-18-10-8-14(12-17)9-11-18/h4-7,14H,8-11,13H2,1-3H3
InChIKeyHRMCDDQEJMNHKW-UHFFFAOYSA-N
MW272.47 g/mol
LogP2.97
Rot. Bonds3

About 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile

1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile (PubChem CID 100718936) has the molecular formula C16H24N2Si and a molecular weight of 272.47 g/mol. Its IUPAC name is 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile
PubChem CID100718936
Molecular FormulaC16H24N2Si
Molecular Weight272.47 g/mol
Exact Mass272.17
IUPAC Name1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile
SMILESC[Si](C)(C)c1ccc(CN2CCC(C#N)CC2)cc1
InChIInChI=1S/C16H24N2Si/c1-19(2,3)16-6-4-15(5-7-16)13-18-10-8-14(12-17)9-11-18/h4-7,14H,8-11,13H2,1-3H3
InChIKeyHRMCDDQEJMNHKW-UHFFFAOYSA-N
XLogP2.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438353
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-4-carbonitrile
CID 119103462
1-[(4-chlorophenyl)methyl]pyrrolidine-3-carbonitrile
CID 83980776
1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile
CID 83986149
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438167
1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
CID 48940786
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 113256160
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane
CID 103438191

Frequently Asked Questions

What is the IUPAC name of 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile (CID 100718936) is 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile is C[Si](C)(C)c1ccc(CN2CCC(C#N)CC2)cc1.
What is the InChIKey of 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile?
The InChIKey is HRMCDDQEJMNHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2Si/c1-19(2,3)16-6-4-15(5-7-16)13-18-10-8-14(12-17)9-11-18/h4-7,14H,8-11,13H2,1-3H3.
What are the key properties of 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile?
1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile has a molecular weight of 272.47 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 100718936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).