7-(4-methylpiperazin-1-yl)-4H-azepine

C11H17N3 — CID 143306016

IUPAC7-(4-methylpiperazin-1-yl)-4H-azepine
SMILESCN1CCN(C2=NC=CCC=C2)CC1
InChIInChI=1S/C11H17N3/c1-13-7-9-14(10-8-13)11-5-3-2-4-6-12-11/h3-6H,2,7-10H2,1H3
InChIKeyPNFQWCJIMDGZPI-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.11
Rot. Bonds

About 7-(4-methylpiperazin-1-yl)-4H-azepine

7-(4-methylpiperazin-1-yl)-4H-azepine (PubChem CID 143306016) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-4H-azepine.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-4H-azepine
PubChem CID143306016
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name7-(4-methylpiperazin-1-yl)-4H-azepine
SMILESCN1CCN(C2=NC=CCC=C2)CC1
InChIInChI=1S/C11H17N3/c1-13-7-9-14(10-8-13)11-5-3-2-4-6-12-11/h3-6H,2,7-10H2,1H3
InChIKeyPNFQWCJIMDGZPI-UHFFFAOYSA-N
XLogP1.11
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-piperazin-1-yl-4H-azepine
CID 54476477
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 70293948
3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
CID 90725962
2-(4-methylpiperazin-1-yl)-3H-azepine
CID 90851137
1-(2,3-Dihydropyridin-6-yl)-4-methylpiperazine
CID 123693422
1-(2,5-Dihydropyridin-6-yl)-4-methylpiperazine
CID 123927956
1-ethenyl-4-[(Z)-prop-1-enyl]-2-[(E)-prop-1-enyl]-4,5-dihydroimidazole
CID 124112790
(Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine
CID 126495587
(Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine
CID 126495651
1-(2,3-Dihydropyridin-6-yl)-4-propan-2-ylpiperazine
CID 129260234
(2Z)-N,4-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
CID 144024471
N-ethenyl-1-(4-ethylpiperazin-1-yl)prop-2-en-1-imine
CID 144477570

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-4H-azepine?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-4H-azepine (CID 143306016) is 7-(4-methylpiperazin-1-yl)-4H-azepine.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-4H-azepine?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-4H-azepine is CN1CCN(C2=NC=CCC=C2)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-4H-azepine?
The InChIKey is PNFQWCJIMDGZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-13-7-9-14(10-8-13)11-5-3-2-4-6-12-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 7-(4-methylpiperazin-1-yl)-4H-azepine?
7-(4-methylpiperazin-1-yl)-4H-azepine has a molecular weight of 191.28 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-4H-azepine is sourced from PubChem (CID 143306016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).