Basic information
- CAS
146270-02-2- Standard SMILES
C(=C/COC1CCCCO1)/COc1cc(CN2CCCCC2)ccn1- InChIKey
LDCPWLFJQFAALO-SREVYHEPSA-N- Molecular formula
- C20H30N2O3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.22564282
Names & identifiers
- Preferred name
- 4-(1-Piperidinylmethyl)-2-[[(2Z)-4-[(tetrahydro-2H-pyran-2-yl)oxy]-2-buten-1-yl]oxy]pyridine
- IUPAC
- 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine
Names & synonyms
146270-02-24-(1-Piperidinylmethyl)-2-[[(2Z)-4-[(tetrahydro-2H-pyran-2-yl)oxy]-2-buten-1-yl]oxy]pyridine4-(1-Piperidinylmethyl)-2-(((2Z)-4-((tetrahydro-2H-pyran-2-yl)oxy)-2-buten-1-yl)oxy)pyridineRefChem:286747(Z)-4-(Piperidin-1-ylmethyl)-2-((4-((tetrahydro-2H-pyran-2-yl)oxy)but-2-en-1-yl)oxy)pyridineLafutidine impurity 17Lafutidine Impurity 24SCHEMBL8553790DTXSID1011196692-({(2Z)-4-[(Oxan-2-yl)oxy]but-2-en-1-yl}oxy)-4-[(piperidin-1-yl)methyl]pyridine
Database identifiers
- CAS
146270-02-2- PubChem CID
- 15228209
- DTXSID
DTXSID101119669- Nikkaji
- J1.644.027B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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