[(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate

C13H25NO3 — CID 11579627

IUPAC[(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCO[C@@H]1CC[C@H](COC(=O)C(C)(C)C)N[C@@H]1C
InChIInChI=1S/C13H25NO3/c1-9-11(16-5)7-6-10(14-9)8-17-12(15)13(2,3)4/h9-11,14H,6-8H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyNWIZNPIGVQZIGA-GMTAPVOTSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds3

About [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate

[(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 11579627) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID11579627
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCO[C@@H]1CC[C@H](COC(=O)C(C)(C)C)N[C@@H]1C
InChIInChI=1S/C13H25NO3/c1-9-11(16-5)7-6-10(14-9)8-17-12(15)13(2,3)4/h9-11,14H,6-8H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyNWIZNPIGVQZIGA-GMTAPVOTSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hydroxymethyl)cyclohexyl]methyl 2,2-dimethylpropanoate
CID 15349892
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
tert-butyl [(2R,3R)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] carbonate
CID 11669814
(2,3,4,5-tetrahydroxy-6-methoxycyclohexyl)oxymethyl 2,2-dimethylpropanoate
CID 118203169
1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
CID 176833255
5-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 112575004
(3-methylidenecyclohexyl)methyl 2,2-dimethylpropanoate
CID 89147948
1-(3-methoxy-4-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 102960525
2-methoxycyclobutane-1-carboxylic acid
CID 130021042
cyclopropylmethyl 2-bromo-2-methylpropanoate
CID 134896391
[(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
CID 174707492
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207

Frequently Asked Questions

What is the IUPAC name of [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate (CID 11579627) is [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate is CO[C@@H]1CC[C@H](COC(=O)C(C)(C)C)N[C@@H]1C.
What is the InChIKey of [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is NWIZNPIGVQZIGA-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9-11(16-5)7-6-10(14-9)8-17-12(15)13(2,3)4/h9-11,14H,6-8H2,1-5H3/t9-,10-,11-/m1/s1.
What are the key properties of [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate?
[(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 243.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11579627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).