Piperazine, 1-(o-methoxyphenyl)-4-(2-(2-pyridyl)ethyl)-

HCID 199286

Notes Reactions

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Basic information

CAS: 3965-87-5
Standard SMILES: COc1ccccc1N1CCN(CCc2ccccn2)CC1
InChIKey: KDDKHXPGBGVQMO-UHFFFAOYSA-N
Molecular formula: C18H23N3O
Average molar mass: 297.4 g/mol
Monoisotopic mass: 297.18411237

Names & identifiers

Preferred name: Piperazine, 1-(o-methoxyphenyl)-4-(2-(2-pyridyl)ethyl)-
IUPAC: 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethyl)piperazine

Names & synonyms

Piperazine, 1-(o-methoxyphenyl)-4-(2-(2-pyridyl)ethyl)-3965-87-5DTXSID30192760RefChem:1095970DTXCID70115251BRN 08940071-(o-Methoxyphenyl)-4-(2-(2-pyridyl)ethyl)piperazinePiperazine, 1-(2-methoxyphenyl)-4-(2-(2-pyridinyl)ethyl)-SCHEMBL7778600KDDKHXPGBGVQMO-UHFFFAOYSA-N1-(2-methoxyphenyl)-4-(2-pyridylethyl)piperazine1-(2-Methoxyphenyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

Database identifiers

CAS: 3965-87-5
PubChem CID: 199286
DTXSID: DTXSID30192760

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 28.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 317

Related reactions

2 records

New reaction record

HRID 149475As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 2226108As reactantuspto-grants-1994_09

Compound notes

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