methyl 1,3,5-trimethylpiperidine-2-carboxylate

C10H19NO2 — CID 123500244

IUPACmethyl 1,3,5-trimethylpiperidine-2-carboxylate
SMILESCOC(=O)C1C(C)CC(C)CN1C
InChIInChI=1S/C10H19NO2/c1-7-5-8(2)9(10(12)13-4)11(3)6-7/h7-9H,5-6H2,1-4H3
InChIKeyXSOOLAXLVZNRKG-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.14
Rot. Bonds1

About methyl 1,3,5-trimethylpiperidine-2-carboxylate

methyl 1,3,5-trimethylpiperidine-2-carboxylate (PubChem CID 123500244) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 1,3,5-trimethylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,5-trimethylpiperidine-2-carboxylate
PubChem CID123500244
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 1,3,5-trimethylpiperidine-2-carboxylate
SMILESCOC(=O)C1C(C)CC(C)CN1C
InChIInChI=1S/C10H19NO2/c1-7-5-8(2)9(10(12)13-4)11(3)6-7/h7-9H,5-6H2,1-4H3
InChIKeyXSOOLAXLVZNRKG-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methoxymethane;1,2,4-trimethylpyrrolidine
CID 166533533
methyl (3S,3aR,6aS)-2-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
CID 146435938
(2S)-1,2,4-trimethylpyrrolidine
CID 59864868
methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
CID 114596367
dimethyl (2S,4S)-1-methylpyrrolidine-2,4-dicarboxylate
CID 58854681
(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
CID 59902800
2-O-tert-butyl 3-O-methyl (3S,6S)-6-methyl-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 90328162
(1R,2S,5S)-2-(1-methoxyethenyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 167254812
1,4-dimethylpyrrolidine-2-carboxylic acid;ethane
CID 169199201
1,4-dimethylpyrrolidine-2-carboxamide
CID 59689218
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488

Frequently Asked Questions

What is the IUPAC name of methyl 1,3,5-trimethylpiperidine-2-carboxylate?
The IUPAC name of methyl 1,3,5-trimethylpiperidine-2-carboxylate (CID 123500244) is methyl 1,3,5-trimethylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1,3,5-trimethylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1,3,5-trimethylpiperidine-2-carboxylate is COC(=O)C1C(C)CC(C)CN1C.
What is the InChIKey of methyl 1,3,5-trimethylpiperidine-2-carboxylate?
The InChIKey is XSOOLAXLVZNRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-5-8(2)9(10(12)13-4)11(3)6-7/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 1,3,5-trimethylpiperidine-2-carboxylate?
methyl 1,3,5-trimethylpiperidine-2-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,5-trimethylpiperidine-2-carboxylate is sourced from PubChem (CID 123500244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).