ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine

C12H27NO — CID 144858617

IUPACethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
SMILESCC.COCCN1CCC(C)(C)CC1
InChIInChI=1S/C10H21NO.C2H6/c1-10(2)4-6-11(7-5-10)8-9-12-3;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyVNFJNHRKBAUUSY-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds3

About ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine

ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine (PubChem CID 144858617) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
PubChem CID144858617
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
SMILESCC.COCCN1CCC(C)(C)CC1
InChIInChI=1S/C10H21NO.C2H6/c1-10(2)4-6-11(7-5-10)8-9-12-3;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyVNFJNHRKBAUUSY-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
CID 142009512
1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine
CID 21069094
1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
ethane;4-ethyl-1-(2-methoxyethyl)piperidin-4-ol
CID 170581594
3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62932034
4-bromo-1-(2-methoxyethyl)piperidine
CID 80679814
4-(ethoxymethyl)-1-(2-methoxyethyl)-4-methylpiperidine
CID 90227649
ethane;9-(2-methoxyethyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 171845221
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane
CID 167041007
1-(2-methoxyethyl)azocane
CID 47014834
ethane;1-(2-methoxyethyl)-4-methylpiperazine;methylcyclopropane
CID 144800701
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine?
The IUPAC name of ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine (CID 144858617) is ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine?
The canonical SMILES for ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine is CC.COCCN1CCC(C)(C)CC1.
What is the InChIKey of ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine?
The InChIKey is VNFJNHRKBAUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-10(2)4-6-11(7-5-10)8-9-12-3;1-2/h4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine?
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine is sourced from PubChem (CID 144858617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).