1-[Naphthalen-2-yl(thiophen-3-yl)methyl]piperidine-2-carboxylic acid
Basic information
- CAS
5143-74-8- Standard SMILES
O=C(O)C1CCCCN1C(c1ccsc1)c1ccc2ccccc2c1- InChIKey
WMOQHEBGAXEMCI-UHFFFAOYSA-N- Molecular formula
- C21H21NO2S
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.12930009
Names & identifiers
- Preferred name
- 1-[Naphthalen-2-yl(thiophen-3-yl)methyl]piperidine-2-carboxylic acid
- IUPAC
- 1-[naphthalen-2-yl(thiophen-3-yl)methyl]piperidine-2-carboxylic acid
Names & synonyms
5143-74-81-[naphthalen-2-yl(thiophen-3-yl)methyl]piperidine-2-carboxylic acidDTXSID504106901-[(Naphthalen-2-yl)(thiophen-3-yl)methyl]piperidine-2-carboxylic acid
Database identifiers
- CAS
5143-74-8- PubChem CID
- 5216752
- DTXSID
DTXSID50410690
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 471
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Compound notes
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