1-piperazin-2-ylazocane

C11H23N3 — CID 21324979

IUPAC1-piperazin-2-ylazocane
SMILESC1CCCN(C2CNCCN2)CCC1
InChIInChI=1S/C11H23N3/c1-2-4-8-14(9-5-3-1)11-10-12-6-7-13-11/h11-13H,1-10H2
InChIKeyIDKVOUBIEXHKRC-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.77
Rot. Bonds1

About 1-piperazin-2-ylazocane

1-piperazin-2-ylazocane (PubChem CID 21324979) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-piperazin-2-ylazocane.

Molecular Properties

Compound Name1-piperazin-2-ylazocane
PubChem CID21324979
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-piperazin-2-ylazocane
SMILESC1CCCN(C2CNCCN2)CCC1
InChIInChI=1S/C11H23N3/c1-2-4-8-14(9-5-3-1)11-10-12-6-7-13-11/h11-13H,1-10H2
InChIKeyIDKVOUBIEXHKRC-UHFFFAOYSA-N
XLogP0.77
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-2-ylazocane?
The IUPAC name of 1-piperazin-2-ylazocane (CID 21324979) is 1-piperazin-2-ylazocane.
What is the SMILES notation for 1-piperazin-2-ylazocane?
The canonical SMILES for 1-piperazin-2-ylazocane is C1CCCN(C2CNCCN2)CCC1.
What is the InChIKey of 1-piperazin-2-ylazocane?
The InChIKey is IDKVOUBIEXHKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-2-4-8-14(9-5-3-1)11-10-12-6-7-13-11/h11-13H,1-10H2.
What are the key properties of 1-piperazin-2-ylazocane?
1-piperazin-2-ylazocane has a molecular weight of 197.33 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-2-ylazocane is sourced from PubChem (CID 21324979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).