benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate

C15H22N2O2 — CID 68500864

IUPACbenzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate
SMILESCN[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1C
InChIInChI=1S/C15H22N2O2/c1-12-14(16-2)9-6-10-17(12)15(18)19-11-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,6,9-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyOQGPNJOHUUBTJR-GXTWGEPZSA-N
MW262.35 g/mol
LogP2.40
Rot. Bonds3

About benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate

benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate (PubChem CID 68500864) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate
PubChem CID68500864
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate
SMILESCN[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1C
InChIInChI=1S/C15H22N2O2/c1-12-14(16-2)9-6-10-17(12)15(18)19-11-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,6,9-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyOQGPNJOHUUBTJR-GXTWGEPZSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
CID 67432326
benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167
1-O-benzyl 3-O-ethyl (2S,3R)-2-methylpiperidine-1,3-dicarboxylate
CID 124582434
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873
benzyl 4-hydroxy-2-methylazepane-1-carboxylate
CID 118230323
benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979
benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
CID 59006552
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate (CID 68500864) is benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate is CN[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1C.
What is the InChIKey of benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate?
The InChIKey is OQGPNJOHUUBTJR-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-14(16-2)9-6-10-17(12)15(18)19-11-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,6,9-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate?
benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 68500864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).