11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine

C20H22N2 — CID 606738

IUPAC11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine
SMILESCN1c2ccccc2C=C(N2CCCCC2)c2ccccc21
InChIInChI=1S/C20H22N2/c1-21-18-11-5-3-9-16(18)15-20(22-13-7-2-8-14-22)17-10-4-6-12-19(17)21/h3-6,9-12,15H,2,7-8,13-14H2,1H3
InChIKeyCIBGHIKLRBOLRH-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.75
Rot. Bonds1

About 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine

11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine (PubChem CID 606738) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine
PubChem CID606738
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine
SMILESCN1c2ccccc2C=C(N2CCCCC2)c2ccccc21
InChIInChI=1S/C20H22N2/c1-21-18-11-5-3-9-16(18)15-20(22-13-7-2-8-14-22)17-10-4-6-12-19(17)21/h3-6,9-12,15H,2,7-8,13-14H2,1H3
InChIKeyCIBGHIKLRBOLRH-UHFFFAOYSA-N
XLogP4.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine?
The IUPAC name of 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine (CID 606738) is 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine.
What is the SMILES notation for 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine?
The canonical SMILES for 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine is CN1c2ccccc2C=C(N2CCCCC2)c2ccccc21.
What is the InChIKey of 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine?
The InChIKey is CIBGHIKLRBOLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-21-18-11-5-3-9-16(18)15-20(22-13-7-2-8-14-22)17-10-4-6-12-19(17)21/h3-6,9-12,15H,2,7-8,13-14H2,1H3.
What are the key properties of 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine?
11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine has a molecular weight of 290.41 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5-piperidin-1-ylbenzo[b][1]benzazepine is sourced from PubChem (CID 606738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).