methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate

C13H25NO2 — CID 159406429

IUPACmethyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1C(C)CCCN1CC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-10-7-6-8-14(9-13(2,3)4)11(10)12(15)16-5/h10-11H,6-9H2,1-5H3
InChIKeyPGMLGUPUDLIAPQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds2

About methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate

methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate (PubChem CID 159406429) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate
PubChem CID159406429
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1C(C)CCCN1CC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-10-7-6-8-14(9-13(2,3)4)11(10)12(15)16-5/h10-11H,6-9H2,1-5H3
InChIKeyPGMLGUPUDLIAPQ-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate (CID 159406429) is methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate is COC(=O)C1C(C)CCCN1CC(C)(C)C.
What is the InChIKey of methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate?
The InChIKey is PGMLGUPUDLIAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-7-6-8-14(9-13(2,3)4)11(10)12(15)16-5/h10-11H,6-9H2,1-5H3.
What are the key properties of methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate?
methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate is sourced from PubChem (CID 159406429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).