3-{[(3-Methylbenzyl)oxy]methyl}piperidine
Basic information
- CAS
946743-91-5- Standard SMILES
Cc1cccc(COCC2CCCNC2)c1- InChIKey
REQIANPKMILSCH-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- 3-{[(3-Methylbenzyl)oxy]methyl}piperidine
- IUPAC
- 3-[(3-methylphenyl)methoxymethyl]piperidine
Names & synonyms
3-{[(3-Methylbenzyl)oxy]methyl}piperidine946743-91-53-{[(3-methylphenyl)methoxy]methyl}piperidine3-[(3-methylphenyl)methoxymethyl]piperidineDTXSID90663007AKOS011623521
Database identifiers
- CAS
946743-91-5- PubChem CID
- 45075306
- DTXSID
DTXSID90663007
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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