1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine

C11H20N2 — CID 141213020

IUPAC1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine
SMILESC1CN([C@H]2CC3CCC2C3)CCN1
InChIInChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)13-5-3-12-4-6-13/h9-12H,1-8H2/t9?,10?,11-/m0/s1
InChIKeyLLAVOYVMTSPJFK-ILDUYXDCSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine

1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine (PubChem CID 141213020) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine.

Molecular Properties

Compound Name1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine
PubChem CID141213020
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine
SMILESC1CN([C@H]2CC3CCC2C3)CCN1
InChIInChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)13-5-3-12-4-6-13/h9-12H,1-8H2/t9?,10?,11-/m0/s1
InChIKeyLLAVOYVMTSPJFK-ILDUYXDCSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine?
The IUPAC name of 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine (CID 141213020) is 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine.
What is the SMILES notation for 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine?
The canonical SMILES for 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine is C1CN([C@H]2CC3CCC2C3)CCN1.
What is the InChIKey of 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine?
The InChIKey is LLAVOYVMTSPJFK-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)13-5-3-12-4-6-13/h9-12H,1-8H2/t9?,10?,11-/m0/s1.
What are the key properties of 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine?
1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-bicyclo[2.2.1]heptanyl]piperazine is sourced from PubChem (CID 141213020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).