1-(1-bicyclo[1.1.1]pentanyl)piperazine

C9H16N2 — CID 131697828

IUPAC1-(1-bicyclo[1.1.1]pentanyl)piperazine
SMILESC1CN(C23CC(C2)C3)CCN1
InChIInChI=1S/C9H16N2/c1-3-11(4-2-10-1)9-5-8(6-9)7-9/h8,10H,1-7H2
InChIKeyFVGWKOUTWIUQRL-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.44
Rot. Bonds1

About 1-(1-bicyclo[1.1.1]pentanyl)piperazine

1-(1-bicyclo[1.1.1]pentanyl)piperazine (PubChem CID 131697828) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)piperazine.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)piperazine
PubChem CID131697828
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)piperazine
SMILESC1CN(C23CC(C2)C3)CCN1
InChIInChI=1S/C9H16N2/c1-3-11(4-2-10-1)9-5-8(6-9)7-9/h8,10H,1-7H2
InChIKeyFVGWKOUTWIUQRL-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)piperazine?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)piperazine (CID 131697828) is 1-(1-bicyclo[1.1.1]pentanyl)piperazine.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)piperazine?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)piperazine is C1CN(C23CC(C2)C3)CCN1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)piperazine?
The InChIKey is FVGWKOUTWIUQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-11(4-2-10-1)9-5-8(6-9)7-9/h8,10H,1-7H2.
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)piperazine?
1-(1-bicyclo[1.1.1]pentanyl)piperazine has a molecular weight of 152.24 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)piperazine is sourced from PubChem (CID 131697828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).