3-benzyl-1-cyclooctylpiperazine

C19H30N2 — CID 64924383

IUPAC3-benzyl-1-cyclooctylpiperazine
SMILESc1ccc(CC2CN(C3CCCCCCC3)CCN2)cc1
InChIInChI=1S/C19H30N2/c1-2-7-11-19(12-8-3-1)21-14-13-20-18(16-21)15-17-9-5-4-6-10-17/h4-6,9-10,18-20H,1-3,7-8,11-16H2
InChIKeyLVNSPJXVVJHXDT-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.62
Rot. Bonds3

About 3-benzyl-1-cyclooctylpiperazine

3-benzyl-1-cyclooctylpiperazine (PubChem CID 64924383) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-benzyl-1-cyclooctylpiperazine.

Molecular Properties

Compound Name3-benzyl-1-cyclooctylpiperazine
PubChem CID64924383
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-benzyl-1-cyclooctylpiperazine
SMILESc1ccc(CC2CN(C3CCCCCCC3)CCN2)cc1
InChIInChI=1S/C19H30N2/c1-2-7-11-19(12-8-3-1)21-14-13-20-18(16-21)15-17-9-5-4-6-10-17/h4-6,9-10,18-20H,1-3,7-8,11-16H2
InChIKeyLVNSPJXVVJHXDT-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclooctylpiperazine?
The IUPAC name of 3-benzyl-1-cyclooctylpiperazine (CID 64924383) is 3-benzyl-1-cyclooctylpiperazine.
What is the SMILES notation for 3-benzyl-1-cyclooctylpiperazine?
The canonical SMILES for 3-benzyl-1-cyclooctylpiperazine is c1ccc(CC2CN(C3CCCCCCC3)CCN2)cc1.
What is the InChIKey of 3-benzyl-1-cyclooctylpiperazine?
The InChIKey is LVNSPJXVVJHXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-7-11-19(12-8-3-1)21-14-13-20-18(16-21)15-17-9-5-4-6-10-17/h4-6,9-10,18-20H,1-3,7-8,11-16H2.
What are the key properties of 3-benzyl-1-cyclooctylpiperazine?
3-benzyl-1-cyclooctylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclooctylpiperazine is sourced from PubChem (CID 64924383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).