1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine

C11H20N2O — CID 130505212

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine
SMILESC1CN(CC2CC3CCC2O3)CCN1
InChIInChI=1S/C11H20N2O/c1-2-11-9(7-10(1)14-11)8-13-5-3-12-4-6-13/h9-12H,1-8H2
InChIKeyGGHKBCAXBVQNIC-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.46
Rot. Bonds2

About 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine

1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine (PubChem CID 130505212) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine
PubChem CID130505212
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine
SMILESC1CN(CC2CC3CCC2O3)CCN1
InChIInChI=1S/C11H20N2O/c1-2-11-9(7-10(1)14-11)8-13-5-3-12-4-6-13/h9-12H,1-8H2
InChIKeyGGHKBCAXBVQNIC-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine (CID 130505212) is 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine is C1CN(CC2CC3CCC2O3)CCN1.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine?
The InChIKey is GGHKBCAXBVQNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-11-9(7-10(1)14-11)8-13-5-3-12-4-6-13/h9-12H,1-8H2.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine?
1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine has a molecular weight of 196.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)piperazine is sourced from PubChem (CID 130505212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).