CAS 62755-61-7 1-(4-Phenoxyphenyl)piperazine (HCID 3017356)

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Basic information

CAS: 62755-61-7
Standard SMILES: c1ccc(Oc2ccc(N3CCNCC3)cc2)cc1
InChIKey: CEDIEUVYUSGIDQ-UHFFFAOYSA-N
Molecular formula: C16H18N2O
Average molar mass: 254.33 g/mol
Monoisotopic mass: 254.1419132

Names & identifiers

Preferred name: 1-(4-Phenoxyphenyl)piperazine
IUPAC: 1-(4-phenoxyphenyl)piperazine

Names & synonyms

1-(4-Phenoxyphenyl)piperazine62755-61-7EINECS 263-715-9DTXSID50978407Piperazine, 1-(4-phenoxyphenyl)-RefChem:74540DTXCID90884674263-715-9CHEMBL576512Oprea1_3726921-(4-phenoxylphenyl)piperazineSCHEMBL2156502

Show more names

SCHEMBL46716201-(4-phenoxyphenyl)-piperazineSCHEMBL26978197BDBM50303652AKOS000365585EBC-610479PD179019CS-0117119

Database identifiers

CAS: 62755-61-7
PubChem CID: 3017356
DTXSID: DTXSID50978407
ChEMBL: CHEMBL576512
EC Number: 263-715-9
Nikkaji: J307.127H

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 24.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 251

Related reactions

8 records

New reaction record

HRID 984As reactantuspto-grants-1998_03

HRID 172406As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 189635As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 462007As productuspto-grants-1977_12

HRID 808328As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 947335As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1551153As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2326880As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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