4-Anilino-1-benzylpiperidine-4-carbonitrile
Basic information
- CAS
968-86-5- Standard SMILES
N#CC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1- InChIKey
AYYPQRMTCMCFSL-UHFFFAOYSA-N- Molecular formula
- C19H21N3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.17354768
Names & identifiers
- Preferred name
- 4-Anilino-1-benzylpiperidine-4-carbonitrile
- IUPAC
- 4-anilino-1-benzylpiperidine-4-carbonitrile
- English name
- 4-Anilino-1-benzyl-4-cyanopiperidine
- Molecular formula
- C19H21N3
- Molecular weight
- 291.39
Names & synonyms
4-Anilino-1-benzylpiperidine-4-carbonitrileEINECS 213-533-0DTXSID90242513NSC 73005RefChem:518329DTXCID20165004213-533-0968-86-51-benzyl-4-(phenylamino)piperidine-4-carbonitrile1-Benzyl-4-phenylamino-4-cyano-piperidine4-(Phenylamino)-1-benzyl-4-piperidinecarbonitrileMFCD00086217
Show more names
4-PiperidinecarbonitrileNSC 7300Remifentanil Impurity HRemifentanil Impurity 64-(phenylamino)-1-(phenylmethyl)4-Anilino-4-cyano-1-benzylpiperidine1-Benzyl-4-cyano-4-anilinopiperidine
4-Piperidinecarbonitrile, 4-(phenylamino)-1-(phenylmethyl)-1-Benzyl-4-phenylamino-piperidine-4-carbonitrileNSC-730054-(phenylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile4-Anilino-1-benzyl-4-piperidinecarbonitrileSMR0004315084-Anilino-1-benzyl-4-cyanopiperidinefentanyl cyanide
Database identifiers
- CAS
968-86-5- PubChem CID
- 70412
- DTXSID
DTXSID90242513- ChEMBL
CHEMBL2135258- UNII
- YG5JYO1RM2
- EC Number
- 213-533-0
- Nikkaji
- J298.572A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Solubility39.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 132 oC · >132oC (dec.)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Light Brown
- FDA UNII
- 5 JYO1RM2 · YG5JYO1RM2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HazardClass
- IRRITANT
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Anilino-1-benzyl-4-cyanopiperidine is used as modulators of muscarinic receptors for treatment of CNS disorders.
Related reactions
8 records
Compound notes
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