Basic information
- CAS
971-34-6- Standard SMILES
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1- InChIKey
LDGORKJXEGHFBK-UHFFFAOYSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Names & identifiers
- Preferred name
- N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
- IUPAC
- N-(1-benzylpiperidin-4-yl)benzamide
- English name
- N-[1-(benzyl)-4-piperidyl]benzamide
- Molecular formula
- C19H22N2O
- Molecular weight
- 294.39
Names & synonyms
971-34-6N-(1-(Benzyl)-4-piperidyl)benzamideNX9VGZ9SAEN-(1-Benzyl-4-piperidinyl)benzamideN-[1-(BENZYL)-4-PIPERIDYL]BENZAMIDEDTXSID00242701N-(1-(Phenylmethyl)-4-piperidinyl)benzamideN-[1-(Phenylmethyl)-4-piperidinyl]benzamideRefChem:1090773DTXCID90165192213-538-8N-(1-benzylpiperidin-4-yl)benzamide
Show more names
1-benzyl-4-benzamidopiperidineIndoramin Hydrochloride Impurity BIndoramin Hydrochloride EP Impurity B1-Benzyl-4-(phenylcarboxamido)piperidineN-(1-Benzyl-4-piperidinyl)benzaMide (IndoraMin IMpurity)
CHEMBL1603838Benzamide, N-[1-(phenylmethyl)-4-piperidinyl]-N-(1-Benzyl-4-piperidyl)benzamideEINECS 213-538-8Indoramin Impurity BN-(1-Benzyl-piperidin-4-yl)-benzamideMaybridge1_006192N-[1-(phenylmethyl)piperidin-4-yl]benzamide
Database identifiers
- CAS
971-34-6- PubChem CID
- 40598
- DTXSID
DTXSID00242701
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
Solubility>44.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- FDA UNII
- 9 VGZ9SAE · NX9VGZ9SAE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesN-[1-(benzyl)-4-piperidyl]benzamide is an Indoramin impurity and can be used in the preparation of piperidinyl heterocycles as hD4 ligands.
Related reactions
4 records
Compound notes
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