Basic information
- CAS
18505-84-5- Standard SMILES
N#CCCN1CCN(c2ccccc2)CC1- InChIKey
KTXUJUPSPCFJME-UHFFFAOYSA-N- Molecular formula
- C13H17N3
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.14224754
Names & identifiers
- Preferred name
- 3-(4-Phenylpiperazin-1-yl)propanenitrile
- IUPAC
- 3-(4-phenylpiperazin-1-yl)propanenitrile
- English name
- 1-Piperazinepropanenitrile,4-phenyl-
- Molecular formula
- C13H17N3
- Molecular weight
- 215.29418
Names & synonyms
18505-84-53-(4-phenylpiperazin-1-yl)propanenitrile1-Piperazinepropanenitrile,4-phenyl-F2189-10153-(4-phenyl-1-piperazinyl)propanenitrile1-Piperazinepropanenitrile, 4-phenyl-NSC87108NCIOpen2_005257CHEMBL230036SCHEMBL11577567DTXSID40939921KTXUJUPSPCFJME-UHFFFAOYSA-N
Show more names
4-Phenyl-1-piperazinepropanenitrile
SMSSF-0613879NSC-87108AKOS0001816394-phenyl-1-(2-cyanoethyl)-piperazine3-(4-phenyl-1-piperazinyl)propiononitrilebeta-(4-phenylpiperazin-1-yl)propionitrileAE-641/00791002Z46173949
Database identifiers
- CAS
18505-84-5- PubChem CID
- 258309
- DTXSID
DTXSID40939921- ChEMBL
CHEMBL230036- Nikkaji
- J2.199.614I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
1 records
Compound notes
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