(3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane

C11H21N3 — CID 51629931

IUPAC(3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane
SMILESC1CN([C@H]2CN3CCC2CC3)CCN1
InChIInChI=1S/C11H21N3/c1-5-13-6-2-10(1)11(9-13)14-7-3-12-4-8-14/h10-12H,1-9H2/t11-/m0/s1
InChIKeyOTHJERZPEMHLGD-NSHDSACASA-N
MW195.31 g/mol
LogP-0.01
Rot. Bonds1

About (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane

(3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane (PubChem CID 51629931) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane
PubChem CID51629931
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane
SMILESC1CN([C@H]2CN3CCC2CC3)CCN1
InChIInChI=1S/C11H21N3/c1-5-13-6-2-10(1)11(9-13)14-7-3-12-4-8-14/h10-12H,1-9H2/t11-/m0/s1
InChIKeyOTHJERZPEMHLGD-NSHDSACASA-N
XLogP-0.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane (CID 51629931) is (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane is C1CN([C@H]2CN3CCC2CC3)CCN1.
What is the InChIKey of (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane?
The InChIKey is OTHJERZPEMHLGD-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N3/c1-5-13-6-2-10(1)11(9-13)14-7-3-12-4-8-14/h10-12H,1-9H2/t11-/m0/s1.
What are the key properties of (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane?
(3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane has a molecular weight of 195.31 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-piperazin-1-yl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 51629931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).