azepane;piperazine

C10H23N3 — CID 22073002

IUPACazepane;piperazine
SMILESC1CCCNCC1.C1CNCCN1
InChIInChI=1S/C6H13N.C4H10N2/c1-2-4-6-7-5-3-1;1-2-6-4-3-5-1/h7H,1-6H2;5-6H,1-4H2
InChIKeyFJRLQSRNKMVLQT-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.33
Rot. Bonds

About azepane;piperazine

azepane;piperazine (PubChem CID 22073002) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is azepane;piperazine.

Molecular Properties

Compound Nameazepane;piperazine
PubChem CID22073002
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Nameazepane;piperazine
SMILESC1CCCNCC1.C1CNCCN1
InChIInChI=1S/C6H13N.C4H10N2/c1-2-4-6-7-5-3-1;1-2-6-4-3-5-1/h7H,1-6H2;5-6H,1-4H2
InChIKeyFJRLQSRNKMVLQT-UHFFFAOYSA-N
XLogP0.33
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepane;piperazine?
The IUPAC name of azepane;piperazine (CID 22073002) is azepane;piperazine.
What is the SMILES notation for azepane;piperazine?
The canonical SMILES for azepane;piperazine is C1CCCNCC1.C1CNCCN1.
What is the InChIKey of azepane;piperazine?
The InChIKey is FJRLQSRNKMVLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H10N2/c1-2-4-6-7-5-3-1;1-2-6-4-3-5-1/h7H,1-6H2;5-6H,1-4H2.
What are the key properties of azepane;piperazine?
azepane;piperazine has a molecular weight of 185.31 g/mol, XLogP of 0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;piperazine is sourced from PubChem (CID 22073002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).