1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride

C11H19ClN2O — CID 67085259

IUPAC1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CC2CCC1C2
InChIInChI=1S/C11H18N2O.ClH/c14-11-7-12-3-4-13(11)10-6-8-1-2-9(10)5-8;/h8-10,12H,1-7H2;1H
InChIKeyBPBAOWPBJYFOBS-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.03
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride

1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride (PubChem CID 67085259) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride
PubChem CID67085259
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CC2CCC1C2
InChIInChI=1S/C11H18N2O.ClH/c14-11-7-12-3-4-13(11)10-6-8-1-2-9(10)5-8;/h8-10,12H,1-7H2;1H
InChIKeyBPBAOWPBJYFOBS-UHFFFAOYSA-N
XLogP1.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride (CID 67085259) is 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride?
The InChIKey is BPBAOWPBJYFOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c14-11-7-12-3-4-13(11)10-6-8-1-2-9(10)5-8;/h8-10,12H,1-7H2;1H.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride?
1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 67085259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).