4-Piperidinomethyl-2-isopropyl-5-methylphenol
Basic information
- CAS
5408-16-2- Standard SMILES
Cc1cc(O)c(C(C)C)cc1CN1CCCCC1- InChIKey
YJLSEOKLMNCBLJ-UHFFFAOYSA-N- Molecular formula
- C16H25NO
- Average molar mass
- 247.38 g/mol
- Monoisotopic mass
- 247.19361442
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Piperidinomethyl-2-isopropyl-5-methylphenol
- IUPAC
- 5-methyl-4-(piperidin-1-ylmethyl)-2-propan-2-ylphenol
Names & synonyms
4-piperidinomethyl-2-isopropyl-5-methylphenolRefChem:912791NSC107765408-16-2NSC-10776NCIStruc1_000198NCIStruc2_0002742-isopropyl-5-methyl-4-(1-piperidinylmethyl)phenolCHEMBL1369990SCHEMBL13038114DTXSID30278957NCI10776
Show more names
CCG-37794NCGC00013116NCGC00013116-02NCGC00096237-01NCI60_0001865-Methyl-4-[(piperidin-1-yl)methyl]-2-(propan-2-yl)phenol
Database identifiers
- CAS
5408-16-2- PubChem CID
- 223285
- DTXSID
DTXSID30278957- ChEMBL
CHEMBL1369990
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
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Related reactions
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Compound notes
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