11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine

C18H23N3 — CID 25054761

IUPAC11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine
SMILESCN1CCC(=C2c3ccccc3CCN3C=CNC23)CC1
InChIInChI=1S/C18H23N3/c1-20-10-6-15(7-11-20)17-16-5-3-2-4-14(16)8-12-21-13-9-19-18(17)21/h2-5,9,13,18-19H,6-8,10-12H2,1H3
InChIKeyFNHBTAKPNGSEGY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.42
Rot. Bonds

About 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine

11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine (PubChem CID 25054761) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine.

Molecular Properties

Compound Name11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine
PubChem CID25054761
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine
SMILESCN1CCC(=C2c3ccccc3CCN3C=CNC23)CC1
InChIInChI=1S/C18H23N3/c1-20-10-6-15(7-11-20)17-16-5-3-2-4-14(16)8-12-21-13-9-19-18(17)21/h2-5,9,13,18-19H,6-8,10-12H2,1H3
InChIKeyFNHBTAKPNGSEGY-UHFFFAOYSA-N
XLogP2.42
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine?
The IUPAC name of 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine (CID 25054761) is 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine.
What is the SMILES notation for 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine?
The canonical SMILES for 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine is CN1CCC(=C2c3ccccc3CCN3C=CNC23)CC1.
What is the InChIKey of 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine?
The InChIKey is FNHBTAKPNGSEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-20-10-6-15(7-11-20)17-16-5-3-2-4-14(16)8-12-21-13-9-19-18(17)21/h2-5,9,13,18-19H,6-8,10-12H2,1H3.
What are the key properties of 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine?
11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine has a molecular weight of 281.40 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine is sourced from PubChem (CID 25054761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).