2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine

C10H16N4 — CID 142128668

IUPAC2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine
SMILESCN1CCN(C2=NCC=CC=N2)CC1
InChIInChI=1S/C10H16N4/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12-10/h2-4H,5-9H2,1H3
InChIKeyBLOFYTMIBPLTID-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.23
Rot. Bonds

About 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine

2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine (PubChem CID 142128668) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine
PubChem CID142128668
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine
SMILESCN1CCN(C2=NCC=CC=N2)CC1
InChIInChI=1S/C10H16N4/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12-10/h2-4H,5-9H2,1H3
InChIKeyBLOFYTMIBPLTID-UHFFFAOYSA-N
XLogP0.23
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)-4H-1,3-diazepine
CID 68085686
ethane;2-(4-methylpiperazin-1-yl)-2H-azepine
CID 143001906
2-(4-Propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene
CID 143024297
(NZ)-N',4-dimethyl-N-prop-2-enylidenepiperazine-1-carboximidamide
CID 144110398
(NZ)-N'-methyl-N-prop-2-enylidene-4-sulfinamoylpiperazine-1-carboximidamide
CID 144490424
N-but-3-enylidene-N',4-dimethylpiperazine-1-carboximidamide
CID 163682950
(Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
CID 166762830
(NZ)-N',4-dimethyl-N-prop-2-enylidenepiperazine-1-carboximidamide;ethane
CID 169104162
2-(4-methylpiperazin-1-yl)-2H-azepine
CID 143001907
N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide
CID 156866754

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine (CID 142128668) is 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine is CN1CCN(C2=NCC=CC=N2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine?
The InChIKey is BLOFYTMIBPLTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12-10/h2-4H,5-9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine?
2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine has a molecular weight of 192.27 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine is sourced from PubChem (CID 142128668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).