4-Benzyl-1-methylpiperidine
Basic information
- CAS
1557-31-9- Standard SMILES
CN1CCC(Cc2ccccc2)CC1- InChIKey
QLAQDAALXYBLIF-UHFFFAOYSA-N- Molecular formula
- C13H19N
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.15174961
Names & identifiers
- Preferred name
- 4-Benzyl-1-methylpiperidine
- IUPAC
- 4-benzyl-1-methylpiperidine
- English name
- 4-benzyl-1-methyl-piperidine
- Molecular formula
- C13H19N
- Molecular weight
- 189.3
Names & synonyms
4-benzyl-1-methylpiperidine1557-31-94-BENZYL-1-METHYL-PIPERIDINENSC-47966CHEMBL1203374NSC479664-Benzyl-N-methylpiperidineD8C2T8WEY8SCHEMBL327856CHEMBL358806SCHEMBL1355984SCHEMBL1372111
Show more names
SCHEMBL19639047Piperidine, 4-benzyl-1-methyl-DTXSID402868461-Methyl-4-(phenylmethyl)piperidineBDBM50368523Piperidine, 1-methyl-4-(phenylmethyl)-
Database identifiers
- CAS
1557-31-9- PubChem CID
- 240973
- DTXSID
DTXSID40286846- ChEMBL
CHEMBL1203374、CHEMBL358806- UNII
- D8C2T8WEY8
- Nikkaji
- J528.610G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- FDA UNII
- 8 C2T8WEY8 · D8C2T8WEY8
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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