4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine

C18H26N6 — CID 71054969

IUPAC4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3N=C(N3CCNCC3)C2)CC1
InChIInChI=1S/C18H26N6/c1-22-10-12-24(13-11-22)18-14-17(23-8-6-19-7-9-23)20-15-4-2-3-5-16(15)21-18/h2-5,19H,6-14H2,1H3
InChIKeyXOINBKIDYXJYFM-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.30
Rot. Bonds

About 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine

4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine (PubChem CID 71054969) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine
PubChem CID71054969
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3N=C(N3CCNCC3)C2)CC1
InChIInChI=1S/C18H26N6/c1-22-10-12-24(13-11-22)18-14-17(23-8-6-19-7-9-23)20-15-4-2-3-5-16(15)21-18/h2-5,19H,6-14H2,1H3
InChIKeyXOINBKIDYXJYFM-UHFFFAOYSA-N
XLogP1.30
TPSA46.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-piperazin-1-yl-2,3-dihydro-1,5-benzoxazepine
CID 176764050
4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine
CID 139438505
4-methyl-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-one
CID 163864971
ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine
CID 142530052
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methylpiperazine;N-phenylaniline
CID 161010175
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine
CID 22418791
1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
CID 117436744

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine (CID 71054969) is 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine is CN1CCN(C2=Nc3ccccc3N=C(N3CCNCC3)C2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine?
The InChIKey is XOINBKIDYXJYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-22-10-12-24(13-11-22)18-14-17(23-8-6-19-7-9-23)20-15-4-2-3-5-16(15)21-18/h2-5,19H,6-14H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine?
4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine has a molecular weight of 326.45 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine is sourced from PubChem (CID 71054969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).