2-[1-(2-Piperidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dione
Basic information
- CAS
62295-43-6- Standard SMILES
O=C1C(=C2C=CN(CCN3CCCCC3)C=C2)C(=O)c2ccccc21- InChIKey
PJDWXYUHJJXSKQ-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.16812795
Names & identifiers
- Preferred name
- 2-[1-(2-Piperidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dione
- IUPAC
- 2-[1-(2-piperidin-1-ylethyl)-4-pyridinylidene]indene-1,3-dione
Names & synonyms
62295-43-6NSC2958692-[1-(2-piperidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dioneDTXSID40315665NSC-2958692-{1-[2-(Piperidin-1-yl)ethyl]pyridin-4(1H)-ylidene}-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
62295-43-6- PubChem CID
- 326074
- DTXSID
DTXSID40315665
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 598
Experimental & physicochemical properties
LogP3.88
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Compound notes
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