4-(trideuteriomethoxymethyl)piperidine

C7H15NO — CID 154824679

IUPAC4-(trideuteriomethoxymethyl)piperidine
SMILES[2H]C([2H])([2H])OCC1CCNCC1
InChIInChI=1S/C7H15NO/c1-9-6-7-2-4-8-5-3-7/h7-8H,2-6H2,1H3/i1D3
InChIKeyIHJDIDHHEBJPDL-FIBGUPNXSA-N
MW132.22 g/mol
LogP0.63
Rot. Bonds3

About 4-(trideuteriomethoxymethyl)piperidine

4-(trideuteriomethoxymethyl)piperidine (PubChem CID 154824679) has the molecular formula C7H15NO and a molecular weight of 132.22 g/mol. Its IUPAC name is 4-(trideuteriomethoxymethyl)piperidine.

Molecular Properties

Compound Name4-(trideuteriomethoxymethyl)piperidine
PubChem CID154824679
Molecular FormulaC7H15NO
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name4-(trideuteriomethoxymethyl)piperidine
SMILES[2H]C([2H])([2H])OCC1CCNCC1
InChIInChI=1S/C7H15NO/c1-9-6-7-2-4-8-5-3-7/h7-8H,2-6H2,1H3/i1D3
InChIKeyIHJDIDHHEBJPDL-FIBGUPNXSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trideuteriomethoxymethyl)piperidine?
The IUPAC name of 4-(trideuteriomethoxymethyl)piperidine (CID 154824679) is 4-(trideuteriomethoxymethyl)piperidine.
What is the SMILES notation for 4-(trideuteriomethoxymethyl)piperidine?
The canonical SMILES for 4-(trideuteriomethoxymethyl)piperidine is [2H]C([2H])([2H])OCC1CCNCC1.
What is the InChIKey of 4-(trideuteriomethoxymethyl)piperidine?
The InChIKey is IHJDIDHHEBJPDL-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H15NO/c1-9-6-7-2-4-8-5-3-7/h7-8H,2-6H2,1H3/i1D3.
What are the key properties of 4-(trideuteriomethoxymethyl)piperidine?
4-(trideuteriomethoxymethyl)piperidine has a molecular weight of 132.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trideuteriomethoxymethyl)piperidine is sourced from PubChem (CID 154824679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).