1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine

C14H29NO — CID 21069094

IUPAC1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine
SMILESCOCCN1CCC(C(C)C)(C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-12(2)14(13(3)4)6-8-15(9-7-14)10-11-16-5/h12-13H,6-11H2,1-5H3
InChIKeyUYUURZGSBSIKSF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine

1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine (PubChem CID 21069094) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine
PubChem CID21069094
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine
SMILESCOCCN1CCC(C(C)C)(C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-12(2)14(13(3)4)6-8-15(9-7-14)10-11-16-5/h12-13H,6-11H2,1-5H3
InChIKeyUYUURZGSBSIKSF-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
2-(2-methoxyethyl)-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156546425
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane
CID 167041007
ethane;4-ethyl-1-(2-methoxyethyl)piperidin-4-ol
CID 170581594
1-(2-methoxyethyl)azocane
CID 47014834
ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
CID 142009512
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
1-methyl-4,4-di(propan-2-yl)piperidine
CID 18740750
2-ethyl-7-(2-methoxyethyl)-7-azaspiro[3.5]nonane
CID 177319164
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane;propane
CID 177319194
4-(ethoxymethyl)-1-(2-methoxyethyl)-4-methylpiperidine
CID 90227649
ethane;9-(2-methoxyethyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 171845221

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine?
The IUPAC name of 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine (CID 21069094) is 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine?
The canonical SMILES for 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine is COCCN1CCC(C(C)C)(C(C)C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine?
The InChIKey is UYUURZGSBSIKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)14(13(3)4)6-8-15(9-7-14)10-11-16-5/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine?
1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine has a molecular weight of 227.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 21069094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).