7-piperazin-1-yl-3H-azepine

C10H15N3 — CID 156866992

IUPAC7-piperazin-1-yl-3H-azepine
SMILESC1=CCC=NC(N2CCNCC2)=C1
InChIInChI=1S/C10H15N3/c1-2-4-10(12-5-3-1)13-8-6-11-7-9-13/h1-2,4-5,11H,3,6-9H2
InChIKeyGDTKWHRPWFETPK-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.76
Rot. Bonds1

About 7-piperazin-1-yl-3H-azepine

7-piperazin-1-yl-3H-azepine (PubChem CID 156866992) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-piperazin-1-yl-3H-azepine.

Molecular Properties

Compound Name7-piperazin-1-yl-3H-azepine
PubChem CID156866992
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name7-piperazin-1-yl-3H-azepine
SMILESC1=CCC=NC(N2CCNCC2)=C1
InChIInChI=1S/C10H15N3/c1-2-4-10(12-5-3-1)13-8-6-11-7-9-13/h1-2,4-5,11H,3,6-9H2
InChIKeyGDTKWHRPWFETPK-UHFFFAOYSA-N
XLogP0.76
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-Dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium
CID 91076121
7-methyl-4-piperazin-1-yl-3H-azepine
CID 134406025
1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine
CID 143791655
ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
CID 143872817
7-(3,5-dimethylpiperazin-1-yl)-3H-azepine;ethane
CID 156866547
ethane;7-piperazin-1-yl-3H-azepine
CID 156866991
N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
CID 173748576
N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine
CID 178001677
(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
CID 134345178
7-(3,5-dimethylpiperazin-1-yl)-3H-azepine
CID 156866548

Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-3H-azepine?
The IUPAC name of 7-piperazin-1-yl-3H-azepine (CID 156866992) is 7-piperazin-1-yl-3H-azepine.
What is the SMILES notation for 7-piperazin-1-yl-3H-azepine?
The canonical SMILES for 7-piperazin-1-yl-3H-azepine is C1=CCC=NC(N2CCNCC2)=C1.
What is the InChIKey of 7-piperazin-1-yl-3H-azepine?
The InChIKey is GDTKWHRPWFETPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-4-10(12-5-3-1)13-8-6-11-7-9-13/h1-2,4-5,11H,3,6-9H2.
What are the key properties of 7-piperazin-1-yl-3H-azepine?
7-piperazin-1-yl-3H-azepine has a molecular weight of 177.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-3H-azepine is sourced from PubChem (CID 156866992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).