Azatadine

Name: Azatadine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₂N₂ — CID 19861

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Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

SMILESCN1CCC(=C2c3ccccc3CCc3cccnc32)CC1

InChIInChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3

InChIKeySEBMTIQKRHYNIT-UHFFFAOYSA-N

MW290.41 g/mol

LogP3.71

Rot. Bonds

About Azatadine

Azatadine (PubChem CID 19861) has the molecular formula C₂₀H₂₂N₂ and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name	Azatadine
PubChem CID	19861
Molecular Formula	C₂₀H₂₂N₂
Molecular Weight	290.41 g/mol
Exact Mass	290.18
IUPAC Name	2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILES	CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1
InChI	InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
InChIKey	SEBMTIQKRHYNIT-UHFFFAOYSA-N
XLogP	3.71
TPSA	16.13 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.41
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Azatadine?

The IUPAC name of Azatadine (CID 19861) is 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

What is the SMILES notation for Azatadine?

The canonical SMILES for Azatadine is CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1.

What is the InChIKey of Azatadine?

The InChIKey is SEBMTIQKRHYNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3.

What are the key properties of Azatadine?

Azatadine has a molecular weight of 290.41 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Azatadine is sourced from PubChem (CID 19861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: A · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 19861 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 268 — approved-drug record (CC BY-SA 4.0)

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