1-(trimethylsilylmethyl)piperidine-2-carbonitrile

C10H20N2Si — CID 101060523

IUPAC1-(trimethylsilylmethyl)piperidine-2-carbonitrile
SMILESC[Si](C)(C)CN1CCCCC1C#N
InChIInChI=1S/C10H20N2Si/c1-13(2,3)9-12-7-5-4-6-10(12)8-11/h10H,4-7,9H2,1-3H3
InChIKeyPVPZVBDLTFRGED-UHFFFAOYSA-N
MW196.37 g/mol
LogP2.24
Rot. Bonds2

About 1-(trimethylsilylmethyl)piperidine-2-carbonitrile

1-(trimethylsilylmethyl)piperidine-2-carbonitrile (PubChem CID 101060523) has the molecular formula C10H20N2Si and a molecular weight of 196.37 g/mol. Its IUPAC name is 1-(trimethylsilylmethyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(trimethylsilylmethyl)piperidine-2-carbonitrile
PubChem CID101060523
Molecular FormulaC10H20N2Si
Molecular Weight196.37 g/mol
Exact Mass196.14
IUPAC Name1-(trimethylsilylmethyl)piperidine-2-carbonitrile
SMILESC[Si](C)(C)CN1CCCCC1C#N
InChIInChI=1S/C10H20N2Si/c1-13(2,3)9-12-7-5-4-6-10(12)8-11/h10H,4-7,9H2,1-3H3
InChIKeyPVPZVBDLTFRGED-UHFFFAOYSA-N
XLogP2.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.24
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

1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile
CID 65161314
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
CID 116521813
1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile
CID 107042905
1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile
CID 65496491
1-pent-3-ynylpyrrolidine-2-carbonitrile
CID 104807705
1-(4,4,4-trifluorobutyl)pyrrolidine-2-carbonitrile
CID 115513921
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile
CID 82892857
2-[(2S)-2-cyanopyrrolidin-1-yl]acetyl bromide
CID 141050137
1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
CID 79165770
(2R,3R)-2-methyl-1-(trimethylsilylmethyl)piperidin-3-amine
CID 164655621
1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 79267259
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026

Frequently Asked Questions

What is the IUPAC name of 1-(trimethylsilylmethyl)piperidine-2-carbonitrile?
The IUPAC name of 1-(trimethylsilylmethyl)piperidine-2-carbonitrile (CID 101060523) is 1-(trimethylsilylmethyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(trimethylsilylmethyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(trimethylsilylmethyl)piperidine-2-carbonitrile is C[Si](C)(C)CN1CCCCC1C#N.
What is the InChIKey of 1-(trimethylsilylmethyl)piperidine-2-carbonitrile?
The InChIKey is PVPZVBDLTFRGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2Si/c1-13(2,3)9-12-7-5-4-6-10(12)8-11/h10H,4-7,9H2,1-3H3.
What are the key properties of 1-(trimethylsilylmethyl)piperidine-2-carbonitrile?
1-(trimethylsilylmethyl)piperidine-2-carbonitrile has a molecular weight of 196.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trimethylsilylmethyl)piperidine-2-carbonitrile is sourced from PubChem (CID 101060523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).