10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

C18H20N4 — CID 152780036

IUPAC10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
SMILESCc1ccc(N2CCNCC2)c2c1Nc1ccccc1N=C2
InChIInChI=1S/C18H20N4/c1-13-6-7-17(22-10-8-19-9-11-22)14-12-20-15-4-2-3-5-16(15)21-18(13)14/h2-7,12,19,21H,8-11H2,1H3
InChIKeyYYOLRZCLKXSFEQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.21
Rot. Bonds1

About 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine (PubChem CID 152780036) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine.

Molecular Properties

Compound Name10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
PubChem CID152780036
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
SMILESCc1ccc(N2CCNCC2)c2c1Nc1ccccc1N=C2
InChIInChI=1S/C18H20N4/c1-13-6-7-17(22-10-8-19-9-11-22)14-12-20-15-4-2-3-5-16(15)21-18(13)14/h2-7,12,19,21H,8-11H2,1H3
InChIKeyYYOLRZCLKXSFEQ-UHFFFAOYSA-N
XLogP3.21
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine
CID 70592992
4,19-dimethyl-1,8,15,22,25,31-hexazapentacyclo[20.6.6.12,6.117,21.09,14]hexatriaconta-2,4,6(36),7,9,11,13,15,17(35),18,20-undecaene-35,36-diol
CID 136671868
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
CID 11426967
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
1-(2-chlorophenyl)piperazine
CID 162116490
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583
2-piperazin-1-yl-1,2-dihydroquinoxaline
CID 91422374
1-[2-(difluoromethyl)-6-methyl-3-pyridinyl]piperazine
CID 178131824
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121235975

Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine?
The IUPAC name of 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine (CID 152780036) is 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine.
What is the SMILES notation for 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine?
The canonical SMILES for 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine is Cc1ccc(N2CCNCC2)c2c1Nc1ccccc1N=C2.
What is the InChIKey of 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine?
The InChIKey is YYOLRZCLKXSFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-6-7-17(22-10-8-19-9-11-22)14-12-20-15-4-2-3-5-16(15)21-18(13)14/h2-7,12,19,21H,8-11H2,1H3.
What are the key properties of 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine?
10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine has a molecular weight of 292.39 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-7-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine is sourced from PubChem (CID 152780036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).