6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine

C19H21N3 — CID 16106

💊View drug profile → perlapine
IUPAC6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
SMILESCN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1
InChIInChI=1S/C19H21N3/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20-19/h2-9H,10-14H2,1H3
InChIKeyPWRPUAKXMQAFCJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.92
Rot. Bonds

About 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine

6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine (PubChem CID 16106) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
PubChem CID16106
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
SMILESCN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1
InChIInChI=1S/C19H21N3/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20-19/h2-9H,10-14H2,1H3
InChIKeyPWRPUAKXMQAFCJ-UHFFFAOYSA-N
XLogP2.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine (CID 16106) is 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine is CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine?
The InChIKey is PWRPUAKXMQAFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20-19/h2-9H,10-14H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine?
6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine has a molecular weight of 291.40 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine is sourced from PubChem (CID 16106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).