4,4-dimethoxypiperidine

C7H15NO2 — CID 557469

IUPAC4,4-dimethoxypiperidine
SMILESCOC1(OC)CCNCC1
InChIInChI=1S/C7H15NO2/c1-9-7(10-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3
InChIKeyONHQQEBZVXXMRC-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.36
Rot. Bonds2

About 4,4-dimethoxypiperidine

4,4-dimethoxypiperidine (PubChem CID 557469) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4,4-dimethoxypiperidine.

Molecular Properties

Compound Name4,4-dimethoxypiperidine
PubChem CID557469
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4,4-dimethoxypiperidine
SMILESCOC1(OC)CCNCC1
InChIInChI=1S/C7H15NO2/c1-9-7(10-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3
InChIKeyONHQQEBZVXXMRC-UHFFFAOYSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxypiperidine?
The IUPAC name of 4,4-dimethoxypiperidine (CID 557469) is 4,4-dimethoxypiperidine.
What is the SMILES notation for 4,4-dimethoxypiperidine?
The canonical SMILES for 4,4-dimethoxypiperidine is COC1(OC)CCNCC1.
What is the InChIKey of 4,4-dimethoxypiperidine?
The InChIKey is ONHQQEBZVXXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-9-7(10-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3.
What are the key properties of 4,4-dimethoxypiperidine?
4,4-dimethoxypiperidine has a molecular weight of 145.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxypiperidine is sourced from PubChem (CID 557469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).