1,4-dimethoxypiperidine

C7H15NO2 — CID 58777536

IUPAC1,4-dimethoxypiperidine
SMILESCOC1CCN(OC)CC1
InChIInChI=1S/C7H15NO2/c1-9-7-3-5-8(10-2)6-4-7/h7H,3-6H2,1-2H3
InChIKeyQYVPUFWTVPATOP-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.66
Rot. Bonds2

About 1,4-dimethoxypiperidine

1,4-dimethoxypiperidine (PubChem CID 58777536) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1,4-dimethoxypiperidine.

Molecular Properties

Compound Name1,4-dimethoxypiperidine
PubChem CID58777536
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1,4-dimethoxypiperidine
SMILESCOC1CCN(OC)CC1
InChIInChI=1S/C7H15NO2/c1-9-7-3-5-8(10-2)6-4-7/h7H,3-6H2,1-2H3
InChIKeyQYVPUFWTVPATOP-UHFFFAOYSA-N
XLogP0.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxypiperidine?
The IUPAC name of 1,4-dimethoxypiperidine (CID 58777536) is 1,4-dimethoxypiperidine.
What is the SMILES notation for 1,4-dimethoxypiperidine?
The canonical SMILES for 1,4-dimethoxypiperidine is COC1CCN(OC)CC1.
What is the InChIKey of 1,4-dimethoxypiperidine?
The InChIKey is QYVPUFWTVPATOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-9-7-3-5-8(10-2)6-4-7/h7H,3-6H2,1-2H3.
What are the key properties of 1,4-dimethoxypiperidine?
1,4-dimethoxypiperidine has a molecular weight of 145.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxypiperidine is sourced from PubChem (CID 58777536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).