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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Related Compounds

bis(11-methylbenzo[b][1]benzazepin-5-yl) hydrogen phosphite
CID 156542976
2-methylidene-4-piperidin-1-ylnaphthalen-1-one
CID 22088203
3-amino-5-(azepan-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 22135303
1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578
11-methyl-2-[10-(11-methylbenzo[b][1]benzazepin-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]benzo[b][1]benzazepine
CID 59220517
(2-piperidin-1-ylphenyl)boronic acid
CID 4192666
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
3-piperidin-1-ylphenalen-1-one
CID 21177336
3-(azepan-1-yl)phenalen-1-one
CID 21177337
10-chloro-4-ethyl-13-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),7(12),8,10,14,16-heptaene
CID 154121604
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362

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).