7H-Furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-4-(1-piperidinylmethyl)-, hydrochloride
Basic information
- CAS
96616-44-3- Standard SMILES
COc1c2occc2c(CN2CCCCC2)c2ccc(=O)oc12.Cl- InChIKey
DTMJPMANJWSPEL-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO4
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.1080858
Names & identifiers
- Preferred name
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-4-(1-piperidinylmethyl)-, hydrochloride
- IUPAC
- 9-methoxy-4-(piperidin-1-ylmethyl)furo[3,2-g]chromen-7-one;hydrochloride
Names & synonyms
7H-Furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-4-(1-piperidinylmethyl)-, hydrochloride96616-44-39-Methoxy-4-(1-piperidinylmethyl)-7H-furo(3,2-g)(1)benzopyran-7-one hydrochlorideCHEMBL6701DTXSID002423679-Methoxy-4-[(piperidin-1-yl)methyl]-7H-furo[3,2-g][1]benzopyran-7-one--hydrogen chloride (1/1)
Database identifiers
- CAS
96616-44-3- PubChem CID
- 150439
- DTXSID
DTXSID00242367- ChEMBL
CHEMBL6701
Properties
Computed structural properties
- Topological polar surface area
- 51.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
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Compound notes
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