1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine

C12H25N3O — CID 60850386

IUPAC1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine
SMILESCOC1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C12H25N3O/c1-16-12-2-6-14(7-3-12)10-11-15-8-4-13-5-9-15/h12-13H,2-11H2,1H3
InChIKeyQAAYRHCFLYFMCB-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.00
Rot. Bonds4

About 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine

1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine (PubChem CID 60850386) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine
PubChem CID60850386
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine
SMILESCOC1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C12H25N3O/c1-16-12-2-6-14(7-3-12)10-11-15-8-4-13-5-9-15/h12-13H,2-11H2,1H3
InChIKeyQAAYRHCFLYFMCB-UHFFFAOYSA-N
XLogP0.00
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine (CID 60850386) is 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine is COC1CCN(CCN2CCNCC2)CC1.
What is the InChIKey of 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine?
The InChIKey is QAAYRHCFLYFMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-16-12-2-6-14(7-3-12)10-11-15-8-4-13-5-9-15/h12-13H,2-11H2,1H3.
What are the key properties of 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine?
1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine has a molecular weight of 227.35 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxypiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 60850386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).