1-cyclooctylpiperazine

C12H24N2 — CID 2735889

IUPAC1-cyclooctylpiperazine
SMILESC1CCCC(N2CCNCC2)CCC1
InChIInChI=1S/C12H24N2/c1-2-4-6-12(7-5-3-1)14-10-8-13-9-11-14/h12-13H,1-11H2
InChIKeyPXPPUXBOQHHYEJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds1

About 1-cyclooctylpiperazine

1-cyclooctylpiperazine (PubChem CID 2735889) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-cyclooctylpiperazine.

Molecular Properties

Compound Name1-cyclooctylpiperazine
PubChem CID2735889
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-cyclooctylpiperazine
SMILESC1CCCC(N2CCNCC2)CCC1
InChIInChI=1S/C12H24N2/c1-2-4-6-12(7-5-3-1)14-10-8-13-9-11-14/h12-13H,1-11H2
InChIKeyPXPPUXBOQHHYEJ-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctylpiperazine?
The IUPAC name of 1-cyclooctylpiperazine (CID 2735889) is 1-cyclooctylpiperazine.
What is the SMILES notation for 1-cyclooctylpiperazine?
The canonical SMILES for 1-cyclooctylpiperazine is C1CCCC(N2CCNCC2)CCC1.
What is the InChIKey of 1-cyclooctylpiperazine?
The InChIKey is PXPPUXBOQHHYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-4-6-12(7-5-3-1)14-10-8-13-9-11-14/h12-13H,1-11H2.
What are the key properties of 1-cyclooctylpiperazine?
1-cyclooctylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctylpiperazine is sourced from PubChem (CID 2735889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).