methyl 6-methylpiperidine-2-carboxylate

C8H15NO2 — CID 13205605

IUPACmethyl 6-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCC(C)N1
InChIInChI=1S/C8H15NO2/c1-6-4-3-5-7(9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyWGKRYIOBFNLMBX-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds1

About methyl 6-methylpiperidine-2-carboxylate

methyl 6-methylpiperidine-2-carboxylate (PubChem CID 13205605) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 6-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methylpiperidine-2-carboxylate
PubChem CID13205605
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 6-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCC(C)N1
InChIInChI=1S/C8H15NO2/c1-6-4-3-5-7(9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyWGKRYIOBFNLMBX-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
CID 45089980
methyl (2S,5R)-5-methylpyrrolidine-2-carboxylate;hydrochloride
CID 162341812
tert-butyl 6-methylpiperidine-2-carboxylate
CID 78131880
butyl (2R,6R)-6-methylpiperidine-2-carboxylate
CID 7047096
benzyl (2R,6S)-6-methylpiperidine-2-carboxylate
CID 788180
butyl (6R)-6-methylpiperidine-2-carboxylate chloride
CID 53313724
methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate
CID 134831360
methyl (3R,5S)-5-methylthiomorpholine-3-carboxylate
CID 12858816
N-cyclooctyl-6-methylpiperidine-2-carboxamide
CID 43185115
methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate
CID 170364847
N-(4-hydroxycyclohexyl)-6-methylpiperidine-2-carboxamide
CID 24710153
6-methyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24690890

Frequently Asked Questions

What is the IUPAC name of methyl 6-methylpiperidine-2-carboxylate?
The IUPAC name of methyl 6-methylpiperidine-2-carboxylate (CID 13205605) is methyl 6-methylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 6-methylpiperidine-2-carboxylate?
The canonical SMILES for methyl 6-methylpiperidine-2-carboxylate is COC(=O)C1CCCC(C)N1.
What is the InChIKey of methyl 6-methylpiperidine-2-carboxylate?
The InChIKey is WGKRYIOBFNLMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-4-3-5-7(9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of methyl 6-methylpiperidine-2-carboxylate?
methyl 6-methylpiperidine-2-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methylpiperidine-2-carboxylate is sourced from PubChem (CID 13205605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).