ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate

C13H27NO2 — CID 176934666

IUPACethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate
SMILESCC.COC(=O)C1CCC(C(C)C)CN1C
InChIInChI=1S/C11H21NO2.C2H6/c1-8(2)9-5-6-10(11(13)14-4)12(3)7-9;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyRVBZWFWMADUTOZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.55
Rot. Bonds2

About ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate

ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate (PubChem CID 176934666) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate
PubChem CID176934666
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nameethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate
SMILESCC.COC(=O)C1CCC(C(C)C)CN1C
InChIInChI=1S/C11H21NO2.C2H6/c1-8(2)9-5-6-10(11(13)14-4)12(3)7-9;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyRVBZWFWMADUTOZ-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate
CID 167396219
dimethyl (2S,4S)-1-methylpyrrolidine-2,4-dicarboxylate
CID 58854681
1-O-tert-butyl 2-O-methyl (2S,4R)-4-propan-2-ylpyrrolidine-1,2-dicarboxylate
CID 169194304
methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate
CID 135212734
methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate
CID 83847972
methyl 4-methyl-1,4-diazepane-5-carboxylate
CID 174500451
methyl 2,5-di(propan-2-yl)cyclohexane-1-carboxylate
CID 168819317
methyl 1-methyl-5-oxopiperidine-2-carboxylate
CID 131405839
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate?
The IUPAC name of ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate (CID 176934666) is ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate.
What is the SMILES notation for ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate?
The canonical SMILES for ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate is CC.COC(=O)C1CCC(C(C)C)CN1C.
What is the InChIKey of ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate?
The InChIKey is RVBZWFWMADUTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C2H6/c1-8(2)9-5-6-10(11(13)14-4)12(3)7-9;1-2/h8-10H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate?
ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate has a molecular weight of 229.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 176934666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).