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

C12H19N3 — CID 90725962

IUPAC3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
SMILESCC1=CN=C(N2CCN(C)CC2)C=CC1
InChIInChI=1S/C12H19N3/c1-11-4-3-5-12(13-10-11)15-8-6-14(2)7-9-15/h3,5,10H,4,6-9H2,1-2H3
InChIKeyCFENQMOOERSZIU-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.50
Rot. Bonds

About 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine

3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine (PubChem CID 90725962) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine.

Molecular Properties

Compound Name3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
PubChem CID90725962
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
SMILESCC1=CN=C(N2CCN(C)CC2)C=CC1
InChIInChI=1S/C12H19N3/c1-11-4-3-5-12(13-10-11)15-8-6-14(2)7-9-15/h3,5,10H,4,6-9H2,1-2H3
InChIKeyCFENQMOOERSZIU-UHFFFAOYSA-N
XLogP1.50
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-Dihydropyridin-6-yl)-4-methylpiperazine
CID 123693422
2,6-Dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine
CID 123879104
(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
N,N,3-trimethyl-4H-azepin-7-amine
CID 143217510
7-(4-methylpiperazin-1-yl)-4H-azepine
CID 143306016
(2Z)-N,4-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
CID 144024471
(2Z,6E)-2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine
CID 144250582
1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine
CID 144954746
(Z)-1-(4-ethylpiperazin-1-yl)-N,3-dimethylpent-2-en-1-imine
CID 145657795
(Z)-N,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-imine
CID 145657944
(Z)-N,5-dimethyl-4-methylidene-1-(4-methylpiperazin-1-yl)hex-2-en-1-imine
CID 155198666

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine?
The IUPAC name of 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine (CID 90725962) is 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine.
What is the SMILES notation for 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine?
The canonical SMILES for 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine is CC1=CN=C(N2CCN(C)CC2)C=CC1.
What is the InChIKey of 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine?
The InChIKey is CFENQMOOERSZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-11-4-3-5-12(13-10-11)15-8-6-14(2)7-9-15/h3,5,10H,4,6-9H2,1-2H3.
What are the key properties of 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine?
3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine has a molecular weight of 205.31 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine is sourced from PubChem (CID 90725962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).