benzyl 2,6-dimethylpiperidine-1-carboxylate

C15H21NO2 — CID 69041433

IUPACbenzyl 2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CCCC(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-12-7-6-8-13(2)16(12)15(17)18-11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3
InChIKeyOWDOUERXHFTHJS-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.59
Rot. Bonds2

About benzyl 2,6-dimethylpiperidine-1-carboxylate

benzyl 2,6-dimethylpiperidine-1-carboxylate (PubChem CID 69041433) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is benzyl 2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,6-dimethylpiperidine-1-carboxylate
PubChem CID69041433
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namebenzyl 2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CCCC(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-12-7-6-8-13(2)16(12)15(17)18-11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3
InChIKeyOWDOUERXHFTHJS-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
benzyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]-5-methylpyrrolidine-1-carboxylate
CID 23626155
benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110678516
benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
CID 175946154
benzyl (2S,5R)-2-(methoxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 102294969
benzyl (1S,6R)-10-azabicyclo[4.3.1]dec-3-ene-10-carboxylate
CID 12049881
benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 11002985
3-hydroxy-5-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 155894007
(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178202280
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
benzyl 3-(hydroxymethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937282

Frequently Asked Questions

What is the IUPAC name of benzyl 2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of benzyl 2,6-dimethylpiperidine-1-carboxylate (CID 69041433) is benzyl 2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 2,6-dimethylpiperidine-1-carboxylate is CC1CCCC(C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is OWDOUERXHFTHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-7-6-8-13(2)16(12)15(17)18-11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3.
What are the key properties of benzyl 2,6-dimethylpiperidine-1-carboxylate?
benzyl 2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 69041433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).