4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine

C13H27NO — CID 71162904

IUPAC4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine
SMILESCC1CN(C)CCC1(C)OCC(C)(C)C
InChIInChI=1S/C13H27NO/c1-11-9-14(6)8-7-13(11,5)15-10-12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyQEMBVWUPRYGWCF-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.78
Rot. Bonds2

About 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine

4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine (PubChem CID 71162904) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine
PubChem CID71162904
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine
SMILESCC1CN(C)CCC1(C)OCC(C)(C)C
InChIInChI=1S/C13H27NO/c1-11-9-14(6)8-7-13(11,5)15-10-12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyQEMBVWUPRYGWCF-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine?
The IUPAC name of 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine (CID 71162904) is 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine is CC1CN(C)CCC1(C)OCC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine?
The InChIKey is QEMBVWUPRYGWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-9-14(6)8-7-13(11,5)15-10-12(2,3)4/h11H,7-10H2,1-6H3.
What are the key properties of 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine?
4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine has a molecular weight of 213.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-1,3,4-trimethylpiperidine is sourced from PubChem (CID 71162904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).