benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate

C20H31N5O3Si — CID 99910729

IUPACbenzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOC[C@H]1C[C@@H](c2nn[nH]n2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H31N5O3Si/c1-29(2,3)12-11-27-15-18-13-17(19-21-23-24-22-19)9-10-25(18)20(26)28-14-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,21,22,23,24)/t17-,18+/m0/s1
InChIKeyWUQNNFRPLQBSIZ-ZWKOTPCHSA-N
MW417.59 g/mol
LogP3.44
Rot. Bonds8

About benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate

benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate (PubChem CID 99910729) has the molecular formula C20H31N5O3Si and a molecular weight of 417.59 g/mol. Its IUPAC name is benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate
PubChem CID99910729
Molecular FormulaC20H31N5O3Si
Molecular Weight417.59 g/mol
Exact Mass417.22
IUPAC Namebenzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOC[C@H]1C[C@@H](c2nn[nH]n2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H31N5O3Si/c1-29(2,3)12-11-27-15-18-13-17(19-21-23-24-22-19)9-10-25(18)20(26)28-14-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,21,22,23,24)/t17-,18+/m0/s1
InChIKeyWUQNNFRPLQBSIZ-ZWKOTPCHSA-N
XLogP3.44
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 66563825
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CID 166141672
benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate
CID 156517654
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CID 11002753
benzyl 9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene-9-carboxylate
CID 129067856
benzyl (2S)-2-(2-hydroxypropoxymethyl)pyrrolidine-1-carboxylate
CID 177494316
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate
CID 129385635
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate (CID 99910729) is benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate is C[Si](C)(C)CCOC[C@H]1C[C@@H](c2nn[nH]n2)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate?
The InChIKey is WUQNNFRPLQBSIZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H31N5O3Si/c1-29(2,3)12-11-27-15-18-13-17(19-21-23-24-22-19)9-10-25(18)20(26)28-14-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,21,22,23,24)/t17-,18+/m0/s1.
What are the key properties of benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate?
benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate has a molecular weight of 417.59 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4S)-4-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 99910729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).