1-(2-methoxy-3,3-dimethylbutyl)piperidine

C12H25NO — CID 139652101

IUPAC1-(2-methoxy-3,3-dimethylbutyl)piperidine
SMILESCOC(CN1CCCCC1)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-12(2,3)11(14-4)10-13-8-6-5-7-9-13/h11H,5-10H2,1-4H3
InChIKeyLGKWJKRXLDEZNS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-methoxy-3,3-dimethylbutyl)piperidine

1-(2-methoxy-3,3-dimethylbutyl)piperidine (PubChem CID 139652101) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(2-methoxy-3,3-dimethylbutyl)piperidine.

Molecular Properties

Compound Name1-(2-methoxy-3,3-dimethylbutyl)piperidine
PubChem CID139652101
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(2-methoxy-3,3-dimethylbutyl)piperidine
SMILESCOC(CN1CCCCC1)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-12(2,3)11(14-4)10-13-8-6-5-7-9-13/h11H,5-10H2,1-4H3
InChIKeyLGKWJKRXLDEZNS-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,3-dimethylbutyl)piperidine?
The IUPAC name of 1-(2-methoxy-3,3-dimethylbutyl)piperidine (CID 139652101) is 1-(2-methoxy-3,3-dimethylbutyl)piperidine.
What is the SMILES notation for 1-(2-methoxy-3,3-dimethylbutyl)piperidine?
The canonical SMILES for 1-(2-methoxy-3,3-dimethylbutyl)piperidine is COC(CN1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-(2-methoxy-3,3-dimethylbutyl)piperidine?
The InChIKey is LGKWJKRXLDEZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)11(14-4)10-13-8-6-5-7-9-13/h11H,5-10H2,1-4H3.
What are the key properties of 1-(2-methoxy-3,3-dimethylbutyl)piperidine?
1-(2-methoxy-3,3-dimethylbutyl)piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,3-dimethylbutyl)piperidine is sourced from PubChem (CID 139652101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).