7-piperazin-1-yl-4H-azepine

C10H15N3 — CID 54476477

IUPAC7-piperazin-1-yl-4H-azepine
SMILESC1=CN=C(N2CCNCC2)C=CC1
InChIInChI=1S/C10H15N3/c1-2-4-10(12-5-3-1)13-8-6-11-7-9-13/h2-5,11H,1,6-9H2
InChIKeyXLYDFWVJFHNWDU-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.76
Rot. Bonds

About 7-piperazin-1-yl-4H-azepine

7-piperazin-1-yl-4H-azepine (PubChem CID 54476477) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-piperazin-1-yl-4H-azepine.

Molecular Properties

Compound Name7-piperazin-1-yl-4H-azepine
PubChem CID54476477
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name7-piperazin-1-yl-4H-azepine
SMILESC1=CN=C(N2CCNCC2)C=CC1
InChIInChI=1S/C10H15N3/c1-2-4-10(12-5-3-1)13-8-6-11-7-9-13/h2-5,11H,1,6-9H2
InChIKeyXLYDFWVJFHNWDU-UHFFFAOYSA-N
XLogP0.76
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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

2-piperazin-1-yl-3H-azepine
CID 57155137
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine
CID 70309686
2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine
CID 143094160
7-(4-methylpiperazin-1-yl)-4H-azepine
CID 143306016
N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine
CID 143430211
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine
CID 144562517
2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine
CID 144995485
(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 169205013
2-(1,4-Dihydroazepin-7-ylideneamino)ethanamine
CID 142256420

Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-4H-azepine?
The IUPAC name of 7-piperazin-1-yl-4H-azepine (CID 54476477) is 7-piperazin-1-yl-4H-azepine.
What is the SMILES notation for 7-piperazin-1-yl-4H-azepine?
The canonical SMILES for 7-piperazin-1-yl-4H-azepine is C1=CN=C(N2CCNCC2)C=CC1.
What is the InChIKey of 7-piperazin-1-yl-4H-azepine?
The InChIKey is XLYDFWVJFHNWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-4-10(12-5-3-1)13-8-6-11-7-9-13/h2-5,11H,1,6-9H2.
What are the key properties of 7-piperazin-1-yl-4H-azepine?
7-piperazin-1-yl-4H-azepine has a molecular weight of 177.25 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-4H-azepine is sourced from PubChem (CID 54476477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).